5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one

C19H23NO4S — CID 118022252

IUPAC5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCCC2)cn(C)c1=O
InChIInChI=1S/C19H23NO4S/c1-13-10-14(12-20(2)19(13)21)17-11-16(25(3,22)23)8-9-18(17)24-15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3
InChIKeyBBZJVFYLQXGXFH-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.09
Rot. Bonds4

About 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one

5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one (PubChem CID 118022252) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
PubChem CID118022252
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one
SMILESCc1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCCC2)cn(C)c1=O
InChIInChI=1S/C19H23NO4S/c1-13-10-14(12-20(2)19(13)21)17-11-16(25(3,22)23)8-9-18(17)24-15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3
InChIKeyBBZJVFYLQXGXFH-UHFFFAOYSA-N
XLogP3.09
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[2-[(3-methyloxetan-3-yl)methoxy]-5-methylsulfonylphenyl]pyridin-2-one
CID 167428794
5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one
CID 134311065
5-[2-(4,4-difluorocyclohexyl)oxy-5-(hydroxymethyl)phenyl]-1,3-dimethylpyridin-2-one
CID 123566879
4-(2-cyclohexyloxy-5-ethylsulfonylphenyl)-2-methylisoquinolin-1-one
CID 144832847
5-[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022586
2-methyl-4-[5-methylsulfonyl-2-(3-oxocyclopentyl)oxyphenyl]isoquinolin-1-one
CID 151631773
N-[3-(1,5-dimethyl-6-oxo-3-pyridinyl)-4-(oxolan-3-yloxy)phenyl]methanesulfinamide;hydrate
CID 160815284
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228
8-cyclohexyloxy-6-(1,5-dimethyl-6-oxo-3-pyridinyl)-3,4-dihydro-1H-quinolin-2-one
CID 126587449
5-[2-cyclopentyloxy-5-methyl-6-(propan-2-ylsulfonylmethyl)pyrimidin-4-yl]-1,3-dimethylpyridin-2-one
CID 160777086
6-(1-cyclohexylpyrazol-4-yl)-4-(2-methoxy-5-methylsulfonylphenyl)-2-methylisoquinolin-1-one
CID 146706817
4-cycloheptyloxy-3-methylbenzenesulfonyl chloride
CID 82935748

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one (CID 118022252) is 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one is Cc1cc(-c2cc(S(C)(=O)=O)ccc2OC2CCCC2)cn(C)c1=O.
What is the InChIKey of 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one?
The InChIKey is BBZJVFYLQXGXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-13-10-14(12-20(2)19(13)21)17-11-16(25(3,22)23)8-9-18(17)24-15-6-4-5-7-15/h8-12,15H,4-7H2,1-3H3.
What are the key properties of 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one?
5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one has a molecular weight of 361.46 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopentyloxy-5-methylsulfonylphenyl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 118022252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).