3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide

C16H21N3O3S — CID 113146938

IUPAC3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O3S/c1-23(21,22)19(15-8-6-13(12-17)7-9-15)11-10-16(20)18-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,18,20)
InChIKeyQSWVZMVJTODCGJ-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.77
Rot. Bonds6

About 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide

3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide (PubChem CID 113146938) has the molecular formula C16H21N3O3S and a molecular weight of 335.43 g/mol. Its IUPAC name is 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide.

Molecular Properties

Compound Name3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
PubChem CID113146938
Molecular FormulaC16H21N3O3S
Molecular Weight335.43 g/mol
Exact Mass335.13
IUPAC Name3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
SMILESCS(=O)(=O)N(CCC(=O)NC1CCCC1)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O3S/c1-23(21,22)19(15-8-6-13(12-17)7-9-15)11-10-16(20)18-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,18,20)
InChIKeyQSWVZMVJTODCGJ-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

Analyze 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
3-(4-cyano-N-methylsulfonylanilino)-N-(4-cyanophenyl)propanamide
CID 113147041
3-(2-cyano-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113146748
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145193
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144351
N-(4-cyanophenyl)-3-(4-methyl-N-methylsulfonylanilino)propanamide
CID 113141999
N-(4-cyanophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113146987
3-(4-cyano-N-methylsulfonylanilino)-N-(3-cyanophenyl)propanamide
CID 113147040

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The IUPAC name of 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide (CID 113146938) is 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide.
What is the SMILES notation for 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The canonical SMILES for 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide is CS(=O)(=O)N(CCC(=O)NC1CCCC1)c1ccc(C#N)cc1.
What is the InChIKey of 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
The InChIKey is QSWVZMVJTODCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3S/c1-23(21,22)19(15-8-6-13(12-17)7-9-15)11-10-16(20)18-14-4-2-3-5-14/h6-9,14H,2-5,10-11H2,1H3,(H,18,20).
What are the key properties of 3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide?
3-(4-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-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide is sourced from PubChem (CID 113146938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).