6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one

C20H24ClNOS — CID 58452794

IUPAC6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one
SMILESCSc1ccc(C(CC2CCCC2)c2ccc(C)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C20H24ClNOS/c1-13-7-9-18(22-20(13)23)16(11-14-5-3-4-6-14)15-8-10-19(24-2)17(21)12-15/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,22,23)
InChIKeyHHKRCZGBUSBRKU-UHFFFAOYSA-N
MW361.94 g/mol
LogP5.77
Rot. Bonds5

About 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one

6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one (PubChem CID 58452794) has the molecular formula C20H24ClNOS and a molecular weight of 361.94 g/mol. Its IUPAC name is 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one
PubChem CID58452794
Molecular FormulaC20H24ClNOS
Molecular Weight361.94 g/mol
Exact Mass361.13
IUPAC Name6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one
SMILESCSc1ccc(C(CC2CCCC2)c2ccc(C)c(=O)[nH]2)cc1Cl
InChIInChI=1S/C20H24ClNOS/c1-13-7-9-18(22-20(13)23)16(11-14-5-3-4-6-14)15-8-10-19(24-2)17(21)12-15/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,22,23)
InChIKeyHHKRCZGBUSBRKU-UHFFFAOYSA-N
XLogP5.77
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.94
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-2-cycloheptylethanol
CID 107562179
2-(3-chloro-4-methylsulfanylphenyl)-3-(3-oxocyclopentyl)propanoic acid
CID 73030887
1-(3-chloro-4-methylphenyl)-2-cyclohexyl-N-methylethanamine
CID 115842241
(2R)-2-(3-chloro-4-cyclopentylsulfanylphenyl)-3-cyclopentylpropanoic acid
CID 67188777
[1-(3-chloro-4-methylphenyl)-2-cyclobutylethyl]hydrazine
CID 105310083
3-cyclopropyl-6-[1-(3,4-dimethylphenyl)-2-[(2R)-5-oxopyrrolidin-2-yl]ethyl]-1H-pyridin-2-one
CID 58452789
2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentyl-N-(1-propylpyrazol-3-yl)propanamide
CID 143616634
6-(3-chloro-4-methylphenyl)-6-(5-cyclopropyl-6-oxo-1H-pyridin-2-yl)-4-iodohexanamide
CID 89016539
N-[1-(2-amino-2-oxoethyl)pyrazol-3-yl]-2-(3-chloro-4-methylsulfanylphenyl)-3-cyclopentylpropanamide
CID 143616656
2-chloro-4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]benzonitrile
CID 127040026
3-chloro-6-[2-[(2R)-5-oxopyrrolidin-2-yl]-1-(4-propan-2-ylphenyl)ethyl]-1H-pyridin-2-one
CID 58452561
3-cyclopentyl-2-(4-methylphenyl)propan-1-amine
CID 79437228

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one?
The IUPAC name of 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one (CID 58452794) is 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one is CSc1ccc(C(CC2CCCC2)c2ccc(C)c(=O)[nH]2)cc1Cl.
What is the InChIKey of 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one?
The InChIKey is HHKRCZGBUSBRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNOS/c1-13-7-9-18(22-20(13)23)16(11-14-5-3-4-6-14)15-8-10-19(24-2)17(21)12-15/h7-10,12,14,16H,3-6,11H2,1-2H3,(H,22,23).
What are the key properties of 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one?
6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one has a molecular weight of 361.94 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-chloro-4-methylsulfanylphenyl)-2-cyclopentylethyl]-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 58452794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).