4798424
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255
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4.5981
9.726
4.0981
5.0981
11.726
3.732
8.1424
8.1424
11.726
5.4641
7.1962
7.1962
6.3301
2.866
3.732
5.4641
6.3301
8.726
8.453
2
2.866
9.4315
10.226
12.726
11.226
13.226
13.226
14.226
14.226
12.726
12.726
14.726
6.3301
3.9441
4.3426
3.2646
2.4675
4.9272
6.3301
8.4325
7.8392
1.69
1.4631
2.31
2.556
2.3291
3.176
9.5594
10.0382
9.3037
9.6434
10.3336
11.416
14.536
14.536
12.189
12.416
13.2629
13.2629
12.416
12.189
15.346
-0.2487
0.7513
0.6173
-1.1147
0.7513
-0.7487
1.556
-0.0534
-0.9807
0.2513
1.2513
0.2513
-0.2487
-0.2487
-1.7487
1.2513
1.7513
0.7513
2.5066
-0.7487
-2.2487
2.7128
-0.1147
-0.9807
-0.1147
-1.8468
-0.1147
-1.8468
-0.1147
-2.7128
0.7513
-0.9807
-0.8687
-2.3313
-1.641
0.2263
0.2263
1.5613
2.3713
3.1262
2.5939
-0.2117
-1.0587
-1.2856
-1.7118
-2.5587
-2.7856
2.1061
2.8406
3.3195
-0.3268
-0.7253
-1.5177
-2.3837
0.4222
-2.4028
-3.2497
-3.0228
1.0613
1.2882
0.4413
-0.9807
8
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32
32
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
715
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
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
9
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB00060000000000000000000000000016000000030600000000000005801F400001E04104000000C08C5DE04B3D1B7CC100AA80325727470C2D03D6112B009D8383874988868A2C0999194200C689402C8C8271080400E00040200200200200008040040040040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[5-(diethylsulfamoyl)-1-ethyl-2-benzimidazolyl]thio]-N-(2,6-dimethylphenyl)acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[5-(diethylsulfamoyl)-1-ethylbenzimidazol-2-yl]sulfanyl-N-(2,6-dimethylphenyl)acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]sulfanyl-N-(2,6-dimethylphenyl)ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[5-(diethylsulfamoyl)-1-ethyl-benzimidazol-2-yl]thio]-N-(2,6-dimethylphenyl)acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C23H30N4O3S2/c1-6-26(7-2)32(29,30)18-12-13-20-19(14-18)24-23(27(20)8-3)31-15-21(28)25-22-16(4)10-9-11-17(22)5/h9-14H,6-8,15H2,1-5H3,(H,25,28)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
UKAQMAYMLIHDSC-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
474.175933
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C23H30N4O3S2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
474.6393
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)NC3=C(C=CC=C3C)C
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)NC3=C(C=CC=C3C)C
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
118
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
474.175933
32
0
0
0
0
0
0
0
1
3