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

C16H16N4O3S — CID 113157287

IUPAC2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1cccnc1)c1cccc(C#N)c1
InChIInChI=1S/C16H16N4O3S/c1-24(22,23)20(15-6-2-4-13(8-15)9-17)12-16(21)19-11-14-5-3-7-18-10-14/h2-8,10H,11-12H2,1H3,(H,19,21)
InChIKeyITZZZGGTLPJOKC-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.04
Rot. Bonds6

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

2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (PubChem CID 113157287) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
PubChem CID113157287
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
SMILESCS(=O)(=O)N(CC(=O)NCc1cccnc1)c1cccc(C#N)c1
InChIInChI=1S/C16H16N4O3S/c1-24(22,23)20(15-6-2-4-13(8-15)9-17)12-16(21)19-11-14-5-3-7-18-10-14/h2-8,10H,11-12H2,1H3,(H,19,21)
InChIKeyITZZZGGTLPJOKC-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-(2-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113157157
2-(4-acetamido-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 113155803
N-benzyl-2-(4-cyano-N-methylsulfonylanilino)acetamide
CID 113157361
2-(4-cyano-N-methylsulfonylanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 113157363
2-(3-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 51343851
2-(2,4-dichloro-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide
CID 6489838
2-(3-acetyl-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2971946
2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 134044336
2-(3-bromo-N-methylsulfonylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 2279634
3-(3-cyanoanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023612
4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)butanamide
CID 53286875
2-(3-cyano-N-methylsulfonylanilino)-N-(3-fluorophenyl)acetamide
CID 25486951

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide (CID 113157287) is 2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is CS(=O)(=O)N(CC(=O)NCc1cccnc1)c1cccc(C#N)c1.
What is the InChIKey of 2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
The InChIKey is ITZZZGGTLPJOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-24(22,23)20(15-6-2-4-13(8-15)9-17)12-16(21)19-11-14-5-3-7-18-10-14/h2-8,10H,11-12H2,1H3,(H,19,21).
What are the key properties of 2-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide?
2-(3-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-(3-cyano-N-methylsulfonylanilino)-N-(pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 113157287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).