1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one

C21H25NO2S — CID 123370853

IUPAC1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one
SMILESCSc1ccc(OCC2CC2)c(-c2cc(C)c(=O)n(C3CCC3)c2)c1
InChIInChI=1S/C21H25NO2S/c1-14-10-16(12-22(21(14)23)17-4-3-5-17)19-11-18(25-2)8-9-20(19)24-13-15-6-7-15/h8-12,15,17H,3-7,13H2,1-2H3
InChIKeyIRZUUIFBGSZLQJ-UHFFFAOYSA-N
MW355.50 g/mol
LogP5.06
Rot. Bonds6

About 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one

1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one (PubChem CID 123370853) has the molecular formula C21H25NO2S and a molecular weight of 355.50 g/mol. Its IUPAC name is 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one
PubChem CID123370853
Molecular FormulaC21H25NO2S
Molecular Weight355.50 g/mol
Exact Mass355.16
IUPAC Name1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one
SMILESCSc1ccc(OCC2CC2)c(-c2cc(C)c(=O)n(C3CCC3)c2)c1
InChIInChI=1S/C21H25NO2S/c1-14-10-16(12-22(21(14)23)17-4-3-5-17)19-11-18(25-2)8-9-20(19)24-13-15-6-7-15/h8-12,15,17H,3-7,13H2,1-2H3
InChIKeyIRZUUIFBGSZLQJ-UHFFFAOYSA-N
XLogP5.06
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.50
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-(dimethylamino)-1-methylpyridin-2-one
CID 134311541
8-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,2,6-trimethyl-1,3-dihydroindolizin-5-one
CID 122633953
6-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2,5-dimethylpyridazin-3-one
CID 134311470
5-[2-(cyclopropylmethoxy)-5-ethylsulfinylphenyl]-1,3-dimethylpyridin-2-one;hydrate
CID 144832809
5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one
CID 134311065
4-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-2-methyl-3,4-dihydroisoquinolin-1-one
CID 176969945
4-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-2-methyl-2,7-naphthyridin-1-one
CID 163854979
5-[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022586
(2S)-8-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-2-methoxy-6-methyl-2,3-dihydro-1H-indolizin-5-one
CID 122633966
5-[5-amino-2-(cyclopropylmethoxy)-4-methylphenyl]-1-methylpyridin-2-one
CID 90027888
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228
8-[2-(cyclopropylmethoxy)-5-ethylsulfanylphenyl]-6-methyl-4H-pyrido[4,3-b][1,4]oxazine-3,5-dione
CID 123704162

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one?
The IUPAC name of 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one (CID 123370853) is 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one.
What is the SMILES notation for 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one?
The canonical SMILES for 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one is CSc1ccc(OCC2CC2)c(-c2cc(C)c(=O)n(C3CCC3)c2)c1.
What is the InChIKey of 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one?
The InChIKey is IRZUUIFBGSZLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO2S/c1-14-10-16(12-22(21(14)23)17-4-3-5-17)19-11-18(25-2)8-9-20(19)24-13-15-6-7-15/h8-12,15,17H,3-7,13H2,1-2H3.
What are the key properties of 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one?
1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one has a molecular weight of 355.50 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-5-[2-(cyclopropylmethoxy)-5-methylsulfanylphenyl]-3-methylpyridin-2-one is sourced from PubChem (CID 123370853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).