53347902
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9.1682
4.7906
10.1682
8.1682
7.4362
2.9945
9.1682
6.5702
5.5996
8.3022
8.3022
9.1682
10.0343
10.0343
7.4362
9.1682
8.3022
10.0343
5.7041
8.3022
10.0343
9.1682
9.1682
4.6215
4.1215
4.2147
3.2202
4.8025
2.8135
4.3958
3.4013
2
8.3022
8.0902
7.6916
9.5668
8.7697
10.2463
10.6449
10.6449
10.2463
6.5702
7.7653
10.5712
7.7653
10.5712
8.5482
9.1682
9.7882
3.5049
2.8558
5.4191
2.1969
4.7602
1.9352
1.3834
2.0648
0.5
1.9067
0.5
0.5
0.5
-3.3566
1.5
2
0.5055
2
3
3.5
2
3
1.5
-0.5
-1
-1
1.5
-2
-2
-2.5
-3.5
0.2976
1.1636
-0.616
-0.7205
-1.425
-1.634
-2.3385
-2.4431
-3.4611
1.38
3.5826
2.8923
3.975
3.975
1.4174
2.1077
2.8923
3.5826
2.62
-0.69
-0.69
-2.31
-2.31
-3.5
-4.12
-3.5
1.2284
-0.2189
-1.3602
-1.6989
-2.8401
-2.8445
-3.526
-4.0778
8
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0
Compound
Canonicalized
5
2011.06.29
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
728
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
7
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B38006000000000000000000000000001600000003C608000000000000001D000001E04104000000C2CC5DE06B39792C8140AAC0325727470C2F8B9612A3909883DBE2C988C66B2A4B93B9430286CD11388A82798D8830E30000000000000006000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-1-(p-tolylsulfonyl)piperidine-2-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R)-N-[4-(4-methoxyphenyl)-2-thiazolyl]-1-(4-methylphenyl)sulfonyl-2-piperidinecarboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-2-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonyl-piperidine-2-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
(2R)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-1-tosyl-pipecolinamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C23H25N3O4S2/c1-16-6-12-19(13-7-16)32(28,29)26-14-4-3-5-21(26)22(27)25-23-24-20(15-31-23)17-8-10-18(30-2)11-9-17/h6-13,15,21H,3-5,14H2,1-2H3,(H,24,25,27)/t21-/m1/s1
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
OXQNLLVUVDAEHC-OAQYLSRUSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
471.128648
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C23H25N3O4S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
471.5923
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CC=C(C=C1)S(=O)(=O)N2CCCC[C@@H]2C(=O)NC3=NC(=CS3)C4=CC=C(C=C4)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
125
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
471.128648
32
1
1
0
0
0
0
0
1
5