4132989
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18
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49
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255
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5.4641
8.0622
9.0327
5.9641
4.9641
8.0622
6.3301
7.1962
7.1962
6.3301
7.1962
7.1962
6.3301
8.0622
8.0622
6.3301
8.9282
4.5981
9.8418
5.4641
7.1962
4.5981
10.0109
10.5109
8.9282
5.4641
7.1962
3.732
6.3301
10.4176
8.9282
3.732
2.866
2.866
2
2
7.4082
7.8067
5.7196
6.1181
6.9841
6.5856
6.1181
5.7196
7.6636
8.4607
8.2742
8.6728
4.0611
9.9706
4.9272
7.7331
5.135
11.1275
9.1403
9.5388
4.9272
7.7331
6.3301
10.984
10.6698
9.8512
9.5482
8.9282
8.3082
4.269
2.866
2.866
1.4631
1.4631
1.25
3.75
-0.7555
2.116
0.384
-0.25
0.75
-1.75
1.25
-0.25
2.25
-0.75
-2.25
-2.25
2.75
-3.25
-1.75
1.75
-2.1567
-3.75
-3.75
2.75
-0.5476
-1.4136
4.25
-4.75
-4.75
3.25
-5.25
0.366
5.25
4.25
2.75
4.75
3.25
4.25
0.6674
1.3577
-0.1423
-0.8326
2.8326
2.1423
-1.6674
-2.3577
-2.725
-2.725
2.1674
2.8577
1.44
-2.7632
-3.44
-3.44
3.06
-1.4784
3.6674
4.3577
-5.06
-5.06
-5.87
0.1138
0.9324
0.6182
5.25
5.87
5.25
4.56
2.13
5.37
2.94
4.56
8
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1
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3
3
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
769
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
14
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371F07B380040000000000000000000000000012000000030600000000000000001D000001E04004000000C04E5D806B204830004428802A15210708208002420000888018E0CC80E663284B53B973928E6C61198A9879891020E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-benzyl-2-[3-ethoxypropyl(styrylsulfonyl)amino]-N-[(5-methyl-2-furyl)methyl]acetamide
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[3-ethoxypropyl(2-phenylethenylsulfonyl)amino]-N-[(5-methyl-2-furanyl)methyl]-N-(phenylmethyl)acetamide
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-benzyl-2-[3-ethoxypropyl(2-phenylethenylsulfonyl)amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
2-[3-ethoxypropyl(2-phenylethenylsulfonyl)amino]-N-[(5-methylfuran-2-yl)methyl]-N-(phenylmethyl)ethanamide
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
N-benzyl-2-[3-ethoxypropyl(styrylsulfonyl)amino]-N-[(5-methyl-2-furyl)methyl]acetamide
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C28H34N2O5S/c1-3-34-19-10-18-30(36(32,33)20-17-25-11-6-4-7-12-25)23-28(31)29(21-26-13-8-5-9-14-26)22-27-16-15-24(2)35-27/h4-9,11-17,20H,3,10,18-19,21-23H2,1-2H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
NKQCPLYCJZJYOJ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
4.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
510.218843
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C28H34N2O5S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
510.64496
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(O2)C)S(=O)(=O)C=CC3=CC=CC=C3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CCOCCCN(CC(=O)N(CC1=CC=CC=C1)CC2=CC=C(O2)C)S(=O)(=O)C=CC3=CC=CC=C3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
88.4
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
510.218843
36
0
0
0
1
0
1
0
1
1