3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide

C16H21N3O3S — CID 113146821

IUPAC3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C16H21N3O3S/c1-23(21,22)19(15-8-4-5-13(11-15)12-17)10-9-16(20)18-14-6-2-3-7-14/h4-5,8,11,14H,2-3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyFIRZZNOTJVFDRM-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.77
Rot. Bonds6

About 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide

3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide (PubChem CID 113146821) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
PubChem CID113146821
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1cccc(C#N)c1
InChIInChI=1S/C16H21N3O3S/c1-23(21,22)19(15-8-4-5-13(11-15)12-17)10-9-16(20)18-14-6-2-3-7-14/h4-5,8,11,14H,2-3,6-7,9-10H2,1H3,(H,18,20)
InChIKeyFIRZZNOTJVFDRM-UHFFFAOYSA-N
XLogP1.77
TPSA90.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938
3-(N-acetyl-3-cyanoanilino)-N-cyclohexylpropanamide
CID 113134840
3-(3-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113146923
methyl 3-[[3-(cyclohexylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145595
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113146748
3-(3-cyano-N-methylsulfonylanilino)-N-(4-fluorophenyl)propanamide
CID 113146899
4-(3-chloro-N-methylsulfonylanilino)-N-cyclooctylbutanamide
CID 9173514
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
3-(3-cyano-N-methylsulfonylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113146886
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The IUPAC name of 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide (CID 113146821) is 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide is CS(=O)(=O)N(CCC(=O)NC1CCCC1)c1cccc(C#N)c1.
What is the InChIKey of 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The InChIKey is FIRZZNOTJVFDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-23(21,22)19(15-8-4-5-13(11-15)12-17)10-9-16(20)18-14-6-2-3-7-14/h4-5,8,11,14H,2-3,6-7,9-10H2,1H3,(H,18,20).
What are the key properties of 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide has a molecular weight of 335.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 113146821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).