2765972
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6.4432
4.9487
4.7796
3
3.866
3.9706
3.2274
2.134
5.4487
5.3554
3
3.4353
6.35
2.134
3.866
2.134
3.866
3
2.4631
4.9085
2.6526
2.8989
2.444
1.597
1.824
5.3987
4.7538
4.0418
3.5642
2.8289
6.4148
6.9666
6.2852
1.597
4.403
1.597
4.403
3
-0.5709
-0.5709
-0.5709
1.161
2.1315
0.5224
0.4291
0.9291
1.9236
2.5928
0.9291
1.2655
3.0451
-1.5709
3.5709
3.1496
-2.0709
-2.0709
-3.0709
-3.0709
-3.5709
0.1191
-0.0841
2.825
2.067
1.466
1.2391
0.3922
3.6636
3.1951
3.442
4.1774
3.6998
2.533
3.2144
3.7662
-1.7609
-1.7609
-3.3809
-3.3809
-4.1909
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.396
Cactvs
xemistry.com
2012.02.08
528
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.396
Cactvs
xemistry.com
2012.02.08
1
Count
Rotatable Bond
5
E_NROTBONDS
3.396
Cactvs
xemistry.com
2012.02.08
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371E0733000400000000000000000000000000100000000300000000000000000010000001E04100000000808C55004B30183C0000A880024425070420000200810088818080088882022A01110842000289602A888070000000000000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
5-[1-(benzenesulfonyl)ethyl]-3,4-diethyl-1H-imidazol-2-one
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
3,4-diethyl-5-[1-(phenylsulfonyl)ethyl]-1H-imidazol-2-one
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
4-(1-besylethyl)-1,5-diethyl-4-imidazolin-2-one
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
InChI=1S/C15H20N2O3S/c1-4-13-14(16-15(18)17(13)5-2)11(3)21(19,20)12-9-7-6-8-10-12/h6-11H,4-5H2,1-3H3,(H,16,18)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.02.08
PXPVNCWPZANXFM-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
1.6
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
308.119464
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C15H20N2O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
308.3959
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CCC1=C(NC(=O)N1CC)C(C)S(=O)(=O)C2=CC=CC=C2
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CCC1=C(NC(=O)N1CC)C(C)S(=O)(=O)C2=CC=CC=C2
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
74.9
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
308.119464
21
1
0
1
0
0
0
0
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