3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide

C20H24N2O3S — CID 22315084

IUPAC3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C20H24N2O3S/c1-26(24,25)17-11-9-16(10-12-17)18(14-15-6-2-3-7-15)20(23)22-19-8-4-5-13-21-19/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,21,22,23)
InChIKeyJXHCYNJBUVRFDD-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.79
Rot. Bonds6

About 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide

3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide (PubChem CID 22315084) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
PubChem CID22315084
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccccn2)cc1
InChIInChI=1S/C20H24N2O3S/c1-26(24,25)17-11-9-16(10-12-17)18(14-15-6-2-3-7-15)20(23)22-19-8-4-5-13-21-19/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,21,22,23)
InChIKeyJXHCYNJBUVRFDD-UHFFFAOYSA-N
XLogP3.79
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide (CID 22315084) is 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccccn2)cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide?
The InChIKey is JXHCYNJBUVRFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-26(24,25)17-11-9-16(10-12-17)18(14-15-6-2-3-7-15)20(23)22-19-8-4-5-13-21-19/h4-5,8-13,15,18H,2-3,6-7,14H2,1H3,(H,21,22,23).
What are the key properties of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide?
3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide has a molecular weight of 372.49 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 22315084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).