2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide

C16H14FN3O3S — CID 25486951

IUPAC2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(C#N)c1
InChIInChI=1S/C16H14FN3O3S/c1-24(22,23)20(15-7-2-4-12(8-15)10-18)11-16(21)19-14-6-3-5-13(17)9-14/h2-9H,11H2,1H3,(H,19,21)
InChIKeyFZUWAODVGYJBLA-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.10
Rot. Bonds5

About 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide

2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide (PubChem CID 25486951) has the molecular formula C16H14FN3O3S and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
PubChem CID25486951
Molecular FormulaC16H14FN3O3S
Molecular Weight347.37 g/mol
Exact Mass347.07
IUPAC Name2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(C#N)c1
InChIInChI=1S/C16H14FN3O3S/c1-24(22,23)20(15-7-2-4-12(8-15)10-18)11-16(21)19-14-6-3-5-13(17)9-14/h2-9H,11H2,1H3,(H,19,21)
InChIKeyFZUWAODVGYJBLA-UHFFFAOYSA-N
XLogP2.10
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 113153763
2-(3-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 1318710
N-(3-cyanophenyl)-2-(3-methoxy-N-methylsulfonylanilino)acetamide
CID 113155193
N-(3-cyanophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157677
2-(4-chloro-N-methylsulfonylanilino)-N-(3-cyanophenyl)acetamide
CID 113154863
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
3-(3-cyano-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113146899
N-(4-butan-2-ylphenyl)-2-(3-cyano-N-methylsulfonylanilino)acetamide
CID 17485358
N-(3-cyanophenyl)-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156973
2-(3-cyano-N-methylsulfonylanilino)-N-(2-ethylphenyl)acetamide
CID 51333753
methyl 4-[[2-(3-fluoroanilino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156070
2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 134044336

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide (CID 25486951) is 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide is CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide?
The InChIKey is FZUWAODVGYJBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O3S/c1-24(22,23)20(15-7-2-4-12(8-15)10-18)11-16(21)19-14-6-3-5-13(17)9-14/h2-9H,11H2,1H3,(H,19,21).
What are the key properties of 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide?
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 25486951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).