2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide

C23H24N2OS — CID 141418898

IUPAC2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CC3CCCC3)c3ncccc23)cc1
InChIInChI=1S/C23H24N2OS/c1-16-8-10-18(11-9-16)27-21-13-12-20(23-19(21)7-4-14-24-23)25-22(26)15-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6,15H2,1H3,(H,25,26)
InChIKeyNOQCQJLFCSWWTM-UHFFFAOYSA-N
MW376.53 g/mol
LogP6.21
Rot. Bonds5

About 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide

2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide (PubChem CID 141418898) has the molecular formula C23H24N2OS and a molecular weight of 376.53 g/mol. Its IUPAC name is 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide
PubChem CID141418898
Molecular FormulaC23H24N2OS
Molecular Weight376.53 g/mol
Exact Mass376.16
IUPAC Name2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide
SMILESCc1ccc(Sc2ccc(NC(=O)CC3CCCC3)c3ncccc23)cc1
InChIInChI=1S/C23H24N2OS/c1-16-8-10-18(11-9-16)27-21-13-12-20(23-19(21)7-4-14-24-23)25-22(26)15-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6,15H2,1H3,(H,25,26)
InChIKeyNOQCQJLFCSWWTM-UHFFFAOYSA-N
XLogP6.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.53
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(4-bromophenyl)sulfanylquinolin-8-yl]-2,2-dimethylpropanamide
CID 141418907
2-cyclopentyl-N-(5-methylquinolin-8-yl)sulfonylacetamide
CID 166278145
N-(5-bromoquinolin-8-yl)-2-(oxolan-3-yl)acetamide
CID 119051811
N-(8-aminoquinolin-5-yl)-3-cyclopentylpropanamide
CID 104826466
2-cyclopentyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]acetamide
CID 60620489
N-[2-(4-methylphenyl)sulfanyl-3-pyridinyl]cyclopropanecarboxamide
CID 2728424
2-(azetidin-3-yl)-N-(8-chloroquinolin-5-yl)acetamide
CID 64617391
2-[3-[2-(4-methylanilino)-2-oxoethyl]cyclohexyl]-N-(4-methylphenyl)acetamide
CID 58862999
2-(1-cyclopropylpiperidin-4-yl)-N-quinolin-8-ylacetamide
CID 110754868
2-cyclopentyl-N-[2-(ethylaminomethyl)phenyl]acetamide
CID 60776430
2-cyclopentyl-N-(4-methylpyrimidin-2-yl)acetamide
CID 167838726
N-[3-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
CID 82344080

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide (CID 141418898) is 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide is Cc1ccc(Sc2ccc(NC(=O)CC3CCCC3)c3ncccc23)cc1.
What is the InChIKey of 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide?
The InChIKey is NOQCQJLFCSWWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2OS/c1-16-8-10-18(11-9-16)27-21-13-12-20(23-19(21)7-4-14-24-23)25-22(26)15-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6,15H2,1H3,(H,25,26).
What are the key properties of 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide?
2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide has a molecular weight of 376.53 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[5-(4-methylphenyl)sulfanylquinolin-8-yl]acetamide is sourced from PubChem (CID 141418898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).