2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide

C15H19N3O3S — CID 113157125

IUPAC2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccccc1C#N
InChIInChI=1S/C15H19N3O3S/c1-22(20,21)18(14-9-5-2-6-12(14)10-16)11-15(19)17-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,11H2,1H3,(H,17,19)
InChIKeyWUHTZEQFDGEWOU-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.38
Rot. Bonds5

About 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide

2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide (PubChem CID 113157125) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
PubChem CID113157125
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccccc1C#N
InChIInChI=1S/C15H19N3O3S/c1-22(20,21)18(14-9-5-2-6-12(14)10-16)11-15(19)17-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,11H2,1H3,(H,17,19)
InChIKeyWUHTZEQFDGEWOU-UHFFFAOYSA-N
XLogP1.38
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113146748
N-cyclopentyl-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 846470
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
1-[2-(2-cyano-N-methylsulfonylanilino)ethyl]-3-cyclopropylurea
CID 113072205
N-cyclopentyl-2-(N-methylsulfonyl-2-morpholin-4-ylanilino)acetamide
CID 113156357
N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
N-(3-chlorophenyl)-2-(2-cyano-N-methylsulfonylanilino)acetamide
CID 113157216
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
CID 113156955
N-cyclohexyl-2-(2,3,4-trifluoro-N-methylsulfonylanilino)acetamide
CID 113157484
N-cycloheptyl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 1322609
N-cyclopropyl-2-(N-methylsulfonyl-2-phenoxyanilino)acetamide
CID 30265676

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide?
The IUPAC name of 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide (CID 113157125) is 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide.
What is the SMILES notation for 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide?
The canonical SMILES for 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide is CS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccccc1C#N.
What is the InChIKey of 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide?
The InChIKey is WUHTZEQFDGEWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-22(20,21)18(14-9-5-2-6-12(14)10-16)11-15(19)17-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,11H2,1H3,(H,17,19).
What are the key properties of 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide?
2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide has a molecular weight of 321.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyano-N-methylsulfonylanilino)-N-cyclopentylacetamide is sourced from PubChem (CID 113157125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).