N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide

C16H14N2O3S — CID 110771370

IUPACN-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H14N2O3S/c1-22(20,21)15-8-4-12(5-9-15)10-16(19)18-14-6-2-13(11-17)3-7-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyXWKOFYVZMICVSU-UHFFFAOYSA-N
MW314.37 g/mol
LogP2.14
Rot. Bonds4

About N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide

N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide (PubChem CID 110771370) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
PubChem CID110771370
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H14N2O3S/c1-22(20,21)15-8-4-12(5-9-15)10-16(19)18-14-6-2-13(11-17)3-7-14/h2-9H,10H2,1H3,(H,18,19)
InChIKeyXWKOFYVZMICVSU-UHFFFAOYSA-N
XLogP2.14
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-{[benzyl(Propyl)amino]methyl}phenyl)-2-[4-(Ethylsulfonyl)phenyl]acetamide
CID 72193937
N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
CID 3241048
N-[3'-cyano-4'-(2-methylpropyl)-2-(trifluoromethyl)biphenyl-4-yl]-2-[4-(ethylsulfonyl)phenyl]acetamide
CID 132274777
2-[4-({[4-(ethylsulfonyl)phenyl]acetyl}amino)phenyl]-2-methyl-N-phenylpropanamide
CID 134821990
2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide
CID 118707356
N-[4-(2-cyanopropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395829
N-[4-(2-cyano-1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 118395881
2-(4-ethylsulfonylphenyl)-N-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]acetamide
CID 118395947
N-(2,4-difluorophenyl)-2-(4-((2-(4-ethylsulfonylphenyl)acetyl)amino)-2-fluorophenyl)-2-methylpropanamide
CID 137796283
N-[4-[[cyclohexylmethyl(propyl)amino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738524
N-[4-(2-anilinoethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738526
2-(4-ethylsulfonylphenyl)-N-[4-[[(2-methylphenyl)methyl-propylamino]methyl]phenyl]acetamide
CID 141738531

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide (CID 110771370) is N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1ccc(CC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide?
The InChIKey is XWKOFYVZMICVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-22(20,21)15-8-4-12(5-9-15)10-16(19)18-14-6-2-13(11-17)3-7-14/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide?
N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide has a molecular weight of 314.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 110771370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).