2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

C16H16N4O3S — CID 113157157

IUPAC2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccccc1C#N
InChIInChI=1S/C16H16N4O3S/c1-24(22,23)20(15-7-3-2-6-14(15)9-17)12-16(21)19-11-13-5-4-8-18-10-13/h2-8,10H,11-12H2,1H3,(H,19,21)
InChIKeyDBMRDIWPCSJAOG-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.04
Rot. Bonds6

About 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide

2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113157157) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113157157
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccccc1C#N
InChIInChI=1S/C16H16N4O3S/c1-24(22,23)20(15-7-3-2-6-14(15)9-17)12-16(21)19-11-13-5-4-8-18-10-13/h2-8,10H,11-12H2,1H3,(H,19,21)
InChIKeyDBMRDIWPCSJAOG-UHFFFAOYSA-N
XLogP1.04
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157287
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 6489838
2-(2-cyano-N-methylsulfonylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113157141
2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113155803
3-(2-fluoro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113143425
3-(2-cyano-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113146724
N-[(4-chlorophenyl)methyl]-3-(2-cyano-N-methylsulfonylanilino)propanamide
CID 113146730
3-(2,3-dimethyl-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 113142594
2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 113157125
2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1075723
N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
CID 113157361
2-(N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 1137913

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 113157157) is 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1ccccc1C#N.
What is the InChIKey of 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is DBMRDIWPCSJAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-24(22,23)20(15-7-3-2-6-14(15)9-17)12-16(21)19-11-13-5-4-8-18-10-13/h2-8,10H,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide has a molecular weight of 344.40 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113157157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).