2824763
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5.4641
5.4641
5.4641
3.732
6.3301
3.732
2.866
4.5981
2.866
2
4.5981
4.5981
3.732
4.5981
5.4641
4.5981
4.5981
5.4641
6.3301
3.1951
5.135
2.3291
2.31
1.4631
1.69
3.732
4.386
3.9875
4.0611
4.0611
5.4641
6.8671
1
-4
-1
-1
2.5
-2
-2.5
-2.5
-3.5
-2
-0.5
-3.5
-4
0.5
2
2.5
3.5
4
3.5
-0.69
-2.19
-3.81
-1.4631
-1.69
-2.5369
-4.62
1.0826
0.3923
2.19
3.81
4.62
3.81
8
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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
303
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.396
Cactvs
xemistry.com
2012.02.08
4
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
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.396
Cactvs
xemistry.com
2012.02.08
00000371C07321004000000000000000000000000000000000003C400000000000000001C000001F04100000000C08C5DA0CBEC192C81008A8023577540082D020710A3008D8383864980820E2E09191842008609400E8C8071080000E00000000000200000000000000040000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(5-fluoro-2-methyl-phenyl)-2-(2-pyridylsulfanyl)acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(5-fluoro-2-methylphenyl)-2-(2-pyridinylthio)acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(5-fluoro-2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(5-fluoranyl-2-methyl-phenyl)-2-pyridin-2-ylsulfanyl-ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.02.08
N-(5-fluoro-2-methyl-phenyl)-2-(2-pyridylthio)acetamide
InChI
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
InChI=1S/C14H13FN2OS/c1-10-5-6-11(15)8-12(10)17-13(18)9-19-14-4-2-3-7-16-14/h2-8H,9H2,1H3,(H,17,18)
InChIKey
Standard
1
1.0.4
InChI
nist.gov
2012.02.08
UDKHLTQCCXGEDQ-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.02.08
3.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
276.073262
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
C14H13FN2OS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
276.329223
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=C(C=C(C=C1)F)NC(=O)CSC2=CC=CC=N2
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.02.08
CC1=C(C=C(C=C1)F)NC(=O)CSC2=CC=CC=N2
Topological
Polar Surface Area
7
E_TPSA
3.396
Cactvs
xemistry.com
2012.02.08
67.3
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.02.08
276.073262
19
0
0
0
0
0
0
0
1
3