N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide

C22H27NO3S — CID 55756566

IUPACN-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)CCS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C22H27NO3S/c1-18-11-13-20(14-12-18)23(17-19-7-3-2-4-8-19)22(24)15-16-27(25,26)21-9-5-6-10-21/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3
InChIKeyKJJRRCJMVODEBI-UHFFFAOYSA-N
MW385.53 g/mol
LogP4.28
Rot. Bonds7

About N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide

N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide (PubChem CID 55756566) has the molecular formula C22H27NO3S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide
PubChem CID55756566
Molecular FormulaC22H27NO3S
Molecular Weight385.53 g/mol
Exact Mass385.17
IUPAC NameN-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(N(Cc2ccccc2)C(=O)CCS(=O)(=O)C2CCCC2)cc1
InChIInChI=1S/C22H27NO3S/c1-18-11-13-20(14-12-18)23(17-19-7-3-2-4-8-19)22(24)15-16-27(25,26)21-9-5-6-10-21/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3
InChIKeyKJJRRCJMVODEBI-UHFFFAOYSA-N
XLogP4.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide 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

N-benzyl-3-(cyclopentylamino)-N-phenylpropanamide
CID 109013738
N-(2-aminoethyl)-3-cyclopentylsulfonyl-N-(2-phenylethyl)propanamide
CID 120886452
N-benzyl-N-(4-methylphenyl)-1-methylsulfonylpiperidine-3-carboxamide
CID 43043853
N-benzyl-3-(2-ethylpiperidin-1-yl)-N-phenylpropanamide
CID 109032779
N-benzyl-3-(4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 109014601
3-cyclohexylsulfonyl-1-phenylpropan-1-one
CID 116694882
2-cyclopentyl-N-[(3-methylphenyl)methyl]-N-phenylacetamide
CID 91043678
N-benzyl-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(4-methylphenyl)propanamide
CID 134007067
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
N-benzyl-5-hydroxy-N-phenylpentanamide
CID 79194764
N-[(4-methylphenyl)methyl]-N-phenylacetamide
CID 10995887
N-benzyl-N-ethyl-3-(4-methylphenyl)sulfonylpropanamide
CID 78782531

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide?
The IUPAC name of N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide (CID 55756566) is N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide is Cc1ccc(N(Cc2ccccc2)C(=O)CCS(=O)(=O)C2CCCC2)cc1.
What is the InChIKey of N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide?
The InChIKey is KJJRRCJMVODEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3S/c1-18-11-13-20(14-12-18)23(17-19-7-3-2-4-8-19)22(24)15-16-27(25,26)21-9-5-6-10-21/h2-4,7-8,11-14,21H,5-6,9-10,15-17H2,1H3.
What are the key properties of N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide?
N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide has a molecular weight of 385.53 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-cyclopentylsulfonyl-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 55756566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).