2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide

C21H25ClN2O3S — CID 23394564

IUPAC2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)nc1
InChIInChI=1S/C21H25ClN2O3S/c1-14-7-10-20(23-13-14)24-21(25)17(11-15-5-3-4-6-15)16-8-9-19(18(22)12-16)28(2,26)27/h7-10,12-13,15,17H,3-6,11H2,1-2H3,(H,23,24,25)
InChIKeyZCSMEPLSCQSMCZ-UHFFFAOYSA-N
MW420.96 g/mol
LogP4.75
Rot. Bonds6

About 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide

2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide (PubChem CID 23394564) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
PubChem CID23394564
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide
SMILESCc1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)nc1
InChIInChI=1S/C21H25ClN2O3S/c1-14-7-10-20(23-13-14)24-21(25)17(11-15-5-3-4-6-15)16-8-9-19(18(22)12-16)28(2,26)27/h7-10,12-13,15,17H,3-6,11H2,1-2H3,(H,23,24,25)
InChIKeyZCSMEPLSCQSMCZ-UHFFFAOYSA-N
XLogP4.75
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 54.75
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-(5-methyl-2-pyridinyl)propanamide?
The IUPAC name of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide (CID 23394564) is 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
The canonical SMILES for 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide is Cc1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)nc1.
What is the InChIKey of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
The InChIKey is ZCSMEPLSCQSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c1-14-7-10-20(23-13-14)24-21(25)17(11-15-5-3-4-6-15)16-8-9-19(18(22)12-16)28(2,26)27/h7-10,12-13,15,17H,3-6,11H2,1-2H3,(H,23,24,25).
What are the key properties of 2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide?
2-(3-chloro-4-methylsulfonylphenyl)-3-cyclopentyl-N-(5-methyl-2-pyridinyl)propanamide has a molecular weight of 420.96 g/mol, XLogP of 4.75, 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-(5-methyl-2-pyridinyl)propanamide is sourced from PubChem (CID 23394564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).