N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide

C15H21NO3S — CID 6461037

IUPACN-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H21NO3S/c1-12-6-8-14(9-7-12)20(18,19)11-10-15(17)16-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyGJLKMKHMCLZMGL-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.22
Rot. Bonds5

About N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide

N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 6461037) has the molecular formula C15H21NO3S and a molecular weight of 295.40 g/mol. Its IUPAC name is N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID6461037
Molecular FormulaC15H21NO3S
Molecular Weight295.40 g/mol
Exact Mass295.12
IUPAC NameN-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)NC2CCCC2)cc1
InChIInChI=1S/C15H21NO3S/c1-12-6-8-14(9-7-12)20(18,19)11-10-15(17)16-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17)
InChIKeyGJLKMKHMCLZMGL-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-2-Amino-N-((S,E)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)pentanamide
CID 23643986
1-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)cyclopropanecarboxamide
CID 4110790
2-(2,5-dimethylphenyl)sulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 5104442
3-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)propanamide
CID 16392441
N~1~-Cyclohexyl-1-[(4-methylphenyl)sulfonyl]-1-cyclopropanecarboxamide
CID 3434568
N-[(4-methylphenyl)methyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 759094
N-cyclohexyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759090
N-benzyl-2-tosylacetamide
CID 6460081
N-cyclohexyl-S,S-dioxobenzo(b)tiophene-2-carboxamide
CID 9860832
N-benzyl-3-(4-methylphenyl)sulfonylpropanamide
CID 759101
2-(4-methylphenyl)sulfanyl-N-(2-methylpropyl)acetamide
CID 846730
3-[(4-methylphenyl)sulfanyl]-N-(propan-2-yl)propanamide
CID 848239

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide (CID 6461037) is N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)NC2CCCC2)cc1.
What is the InChIKey of N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is GJLKMKHMCLZMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3S/c1-12-6-8-14(9-7-12)20(18,19)11-10-15(17)16-13-4-2-3-5-13/h6-9,13H,2-5,10-11H2,1H3,(H,16,17).
What are the key properties of N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide?
N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 295.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 6461037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).