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

C20H23ClN2O3S — CID 22315194

IUPAC2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccccn2)cc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-27(25,26)18-10-9-15(13-17(18)21)16(12-14-6-2-3-7-14)20(24)23-19-8-4-5-11-22-19/h4-5,8-11,13-14,16H,2-3,6-7,12H2,1H3,(H,22,23,24)
InChIKeyFROPKILFCBRCRO-UHFFFAOYSA-N
MW406.94 g/mol
LogP4.44
Rot. Bonds6

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

2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide (PubChem CID 22315194) has the molecular formula C20H23ClN2O3S and a molecular weight of 406.94 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide
PubChem CID22315194
Molecular FormulaC20H23ClN2O3S
Molecular Weight406.94 g/mol
Exact Mass406.11
IUPAC Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccccn2)cc1Cl
InChIInChI=1S/C20H23ClN2O3S/c1-27(25,26)18-10-9-15(13-17(18)21)16(12-14-6-2-3-7-14)20(24)23-19-8-4-5-11-22-19/h4-5,8-11,13-14,16H,2-3,6-7,12H2,1H3,(H,22,23,24)
InChIKeyFROPKILFCBRCRO-UHFFFAOYSA-N
XLogP4.44
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.94
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide (CID 22315194) is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccccn2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide?
The InChIKey is FROPKILFCBRCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3S/c1-27(25,26)18-10-9-15(13-17(18)21)16(12-14-6-2-3-7-14)20(24)23-19-8-4-5-11-22-19/h4-5,8-11,13-14,16H,2-3,6-7,12H2,1H3,(H,22,23,24).
What are the key properties of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide?
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide has a molecular weight of 406.94 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 22315194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).