53383641
  -OEChem-05132418322D

 35 36  0     0  0  0  0  0  0999 V2000
    8.0559    0.2094    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9945    3.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5659    2.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1646    1.8649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3347    1.9694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7469    1.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2469   -0.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4379    0.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2469   -1.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7469    1.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    2.6739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1591    1.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    2.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809   -1.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1130   -1.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809   -2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1130   -2.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2469   -3.3784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8482    0.0178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1341    2.9457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4059    3.2699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9124    1.2985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    2.2976    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7532    1.9734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440   -1.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6499   -1.5684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8440   -3.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6499   -3.1884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9513    1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0825    2.5358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2469   -3.9984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9352    3.8905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    3.2091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0648    2.6573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2 13  1  0  0  0  0
  2 19  1  0  0  0  0
  3 12  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 13  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 16  1  0  0  0  0
 14 26  1  0  0  0  0
 15 17  2  0  0  0  0
 15 27  1  0  0  0  0
 16 18  2  0  0  0  0
 16 28  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383641

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
295

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMABAAAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgQQAAAADADh2AYygYLABAiMAiFSUACDAIBkCBFIiJkIRMgKIDqg1ZGFIYhglgC4yccYiMCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-amino-N-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-amino-N-(2-methoxyethyl)-5-phenyl-3-thiophenecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-amino-<I>N</I>-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-amino-N-(2-methoxyethyl)-5-phenylthiophene-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-azanyl-N-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-amino-N-(2-methoxyethyl)-5-phenyl-thiophene-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16N2O2S/c1-18-8-7-16-14(17)11-9-12(19-13(11)15)10-5-3-2-4-6-10/h2-6,9H,7-8,15H2,1H3,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
QOTMPSXFERGPKP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
276.09324893

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16N2O2S

> <PUBCHEM_MOLECULAR_WEIGHT>
276.36

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCNC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCNC(=O)C1=C(SC(=C1)C2=CC=CC=C2)N

> <PUBCHEM_CACTVS_TPSA>
92.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
276.09324893

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
1  10  8
1  7  8
14  16  8
15  17  8
16  18  8
17  18  8
6  10  8
6  8  8
7  8  8
9  14  8
9  15  8

$$$$