N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide

C16H23NO3S — CID 42961400

IUPACN-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C16H23NO3S/c1-12-7-3-4-8-14(12)11-21(19,20)13(2)16(18)17-15-9-5-6-10-15/h3-4,7-8,13,15H,5-6,9-11H2,1-2H3,(H,17,18)
InChIKeyWRJBAPYLLANBRW-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.36
Rot. Bonds5

About N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide

N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide (PubChem CID 42961400) has the molecular formula C16H23NO3S and a molecular weight of 309.43 g/mol. Its IUPAC name is N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
PubChem CID42961400
Molecular FormulaC16H23NO3S
Molecular Weight309.43 g/mol
Exact Mass309.14
IUPAC NameN-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide
SMILESCc1ccccc1CS(=O)(=O)C(C)C(=O)NC1CCCC1
InChIInChI=1S/C16H23NO3S/c1-12-7-3-4-8-14(12)11-21(19,20)13(2)16(18)17-15-9-5-6-10-15/h3-4,7-8,13,15H,5-6,9-11H2,1-2H3,(H,17,18)
InChIKeyWRJBAPYLLANBRW-UHFFFAOYSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]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

2-benzylsulfonyl-N-cycloheptylpropanamide
CID 46589032
N-cyclopentyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647813
(2S)-N-cyclohexyl-2-[(3-fluorophenyl)methylsulfonyl]propanamide
CID 51946941
N-cyclohexyl-2-[(2-methylphenyl)methylamino]propanamide
CID 60647843
(2S)-N-cyclopentyl-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9257102
(2S)-N-cyclopentyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfonyl]propanamide
CID 94087763
(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(2-methylphenyl)methylsulfonyl]propan-1-one
CID 94828179
2-[(3-chlorophenyl)methylsulfonyl]-N-cyclopropylpropanamide
CID 47206565
2-[(2-chlorophenyl)methylsulfonyl]-N-[(2-methylphenyl)methyl]propanamide
CID 86923050
N-(5-fluoro-2-methylphenyl)-2-[(2-methylphenyl)methylsulfonyl]propanamide
CID 86923009
2-chloro-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 62226466
2-but-2-enylsulfonyl-N-cyclohexylpropanamide
CID 72686246

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide?
The IUPAC name of N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide (CID 42961400) is N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide?
The canonical SMILES for N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide is Cc1ccccc1CS(=O)(=O)C(C)C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide?
The InChIKey is WRJBAPYLLANBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3S/c1-12-7-3-4-8-14(12)11-21(19,20)13(2)16(18)17-15-9-5-6-10-15/h3-4,7-8,13,15H,5-6,9-11H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide?
N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide has a molecular weight of 309.43 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(2-methylphenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 42961400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).