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

C24H26N2O3S — CID 10224075

IUPAC3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H26N2O3S/c1-30(28,29)20-13-10-18(11-14-20)21(16-17-6-2-3-7-17)24(27)26-23-15-12-19-8-4-5-9-22(19)25-23/h4-5,8-15,17,21H,2-3,6-7,16H2,1H3,(H,25,26,27)
InChIKeyRBFUJKPDVLOKBZ-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.94
Rot. Bonds6

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

3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide (PubChem CID 10224075) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide
PubChem CID10224075
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1
InChIInChI=1S/C24H26N2O3S/c1-30(28,29)20-13-10-18(11-14-20)21(16-17-6-2-3-7-17)24(27)26-23-15-12-19-8-4-5-9-22(19)25-23/h4-5,8-15,17,21H,2-3,6-7,16H2,1H3,(H,25,26,27)
InChIKeyRBFUJKPDVLOKBZ-UHFFFAOYSA-N
XLogP4.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.94
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-quinolin-2-ylpropanamide?
The IUPAC name of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide (CID 10224075) is 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide.
What is the SMILES notation for 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide?
The canonical SMILES for 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1.
What is the InChIKey of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide?
The InChIKey is RBFUJKPDVLOKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-30(28,29)20-13-10-18(11-14-20)21(16-17-6-2-3-7-17)24(27)26-23-15-12-19-8-4-5-9-22(19)25-23/h4-5,8-15,17,21H,2-3,6-7,16H2,1H3,(H,25,26,27).
What are the key properties of 3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide?
3-cyclopentyl-2-(4-methylsulfonylphenyl)-N-quinolin-2-ylpropanamide has a molecular weight of 422.55 g/mol, XLogP of 4.94, 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-quinolin-2-ylpropanamide is sourced from PubChem (CID 10224075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).