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

C24H25ClN2O3S — CID 10276120

IUPAC2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1Cl
InChIInChI=1S/C24H25ClN2O3S/c1-31(29,30)22-12-10-18(15-20(22)25)19(14-16-6-2-3-7-16)24(28)27-23-13-11-17-8-4-5-9-21(17)26-23/h4-5,8-13,15-16,19H,2-3,6-7,14H2,1H3,(H,26,27,28)
InChIKeySOYSPEAIZRNEAT-UHFFFAOYSA-N
MW457.00 g/mol
LogP5.59
Rot. Bonds6

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

2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide (PubChem CID 10276120) has the molecular formula C24H25ClN2O3S and a molecular weight of 457.00 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide
PubChem CID10276120
Molecular FormulaC24H25ClN2O3S
Molecular Weight457.00 g/mol
Exact Mass456.13
IUPAC Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide
SMILESCS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1Cl
InChIInChI=1S/C24H25ClN2O3S/c1-31(29,30)22-12-10-18(15-20(22)25)19(14-16-6-2-3-7-16)24(28)27-23-13-11-17-8-4-5-9-21(17)26-23/h4-5,8-13,15-16,19H,2-3,6-7,14H2,1H3,(H,26,27,28)
InChIKeySOYSPEAIZRNEAT-UHFFFAOYSA-N
XLogP5.59
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.00
LogP ≤ 55.59
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-quinolin-2-ylpropanamide?
The IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide (CID 10276120) is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide.
What is the SMILES notation for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide?
The canonical SMILES for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide is CS(=O)(=O)c1ccc(C(CC2CCCC2)C(=O)Nc2ccc3ccccc3n2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide?
The InChIKey is SOYSPEAIZRNEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3S/c1-31(29,30)22-12-10-18(15-20(22)25)19(14-16-6-2-3-7-16)24(28)27-23-13-11-17-8-4-5-9-21(17)26-23/h4-5,8-13,15-16,19H,2-3,6-7,14H2,1H3,(H,26,27,28).
What are the key properties of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide?
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-quinolin-2-ylpropanamide has a molecular weight of 457.00 g/mol, XLogP of 5.59, 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-quinolin-2-ylpropanamide is sourced from PubChem (CID 10276120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).