3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide

C15H21NO3S — CID 47108856

IUPAC3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)CCC1CCCC1
InChIInChI=1S/C15H21NO3S/c1-12-6-2-5-9-14(12)20(18,19)16-15(17)11-10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,16,17)
InChIKeyKPMAJKKWLYJHIG-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.77
Rot. Bonds5

About 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide

3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide (PubChem CID 47108856) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide
PubChem CID47108856
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC Name3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide
SMILESCc1ccccc1S(=O)(=O)NC(=O)CCC1CCCC1
InChIInChI=1S/C15H21NO3S/c1-12-6-2-5-9-14(12)20(18,19)16-15(17)11-10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,16,17)
InChIKeyKPMAJKKWLYJHIG-UHFFFAOYSA-N
XLogP2.77
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445
cyclobutane;(2-methylphenyl)sulfonylurea
CID 20975377
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
(2-methylphenyl)sulfonylurea
CID 20975378
3-cyclohexyl-N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573893
3-cyclopentyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)sulfonyl]propanamide
CID 136546763
(2R)-2-acetamido-2-cyclopentyl-N-(2-methylphenyl)sulfonylacetamide
CID 94186604
2-[(3R)-1,1-dioxothiolan-3-yl]sulfanyl-N-(2-methylphenyl)sulfonylacetamide
CID 94186594
3-cyclopentyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598691
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-[1-(2-methylphenyl)sulfonylpiperidin-3-yl]propanamide
CID 91903748
N-[2-butyl-3-[[4-[2-(3-cyclopentylpropanoylsulfamoyl)phenyl]phenyl]methyl]-7-methylimidazo[4,5-b]pyridin-6-yl]pentanamide
CID 19754054
3-cyclohexyl-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108573891

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide?
The IUPAC name of 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide (CID 47108856) is 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide?
The canonical SMILES for 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide is Cc1ccccc1S(=O)(=O)NC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide?
The InChIKey is KPMAJKKWLYJHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12-6-2-5-9-14(12)20(18,19)16-15(17)11-10-13-7-3-4-8-13/h2,5-6,9,13H,3-4,7-8,10-11H2,1H3,(H,16,17).
What are the key properties of 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide?
3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide has a molecular weight of 295.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(2-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 47108856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).