1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one

C21H21NO2S — CID 146534965

IUPAC1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one
SMILESCSc1cc(OCc2ccccc2)cc(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C21H21NO2S/c1-15-9-18(13-22(2)21(15)23)17-10-19(12-20(11-17)25-3)24-14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
InChIKeySJBOIAIHXXNKTF-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.66
Rot. Bonds5

About 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one

1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one (PubChem CID 146534965) has the molecular formula C21H21NO2S and a molecular weight of 351.47 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one
PubChem CID146534965
Molecular FormulaC21H21NO2S
Molecular Weight351.47 g/mol
Exact Mass351.13
IUPAC Name1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one
SMILESCSc1cc(OCc2ccccc2)cc(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C21H21NO2S/c1-15-9-18(13-22(2)21(15)23)17-10-19(12-20(11-17)25-3)24-14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3
InChIKeySJBOIAIHXXNKTF-UHFFFAOYSA-N
XLogP4.66
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-(hydroxy-methoxy-methyl-λ4-sulfanyl)-5-phenylmethoxyphenyl]-1,3-dimethylpyridin-2-one
CID 123723955
6-bromo-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-8-phenylmethoxy-3,4-dihydro-1H-quinolin-2-one
CID 161223377
5-(4-benzyl-6-oxo-7,8-dihydro-5H-naphthalen-2-yl)-1,3-dimethylpyridin-2-one
CID 149362896
2-methyl-4,6-bis(phenylmethoxy)benzaldehyde
CID 11359497
1-methyl-4-phenylmethoxypyrrol-2-ol
CID 134892520
1,3-dimethyl-5-[3-methylsulfonyl-5-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-one
CID 118021347
5-(1-benzyl-4-phenylimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306306
1,3-dimethyl-5-phenylmethoxyindole
CID 23383486
5-(3-benzylimidazo[1,2-a]pyridin-6-yl)-1,3-dimethylpyridin-2-one;5-[3-[(4-chlorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;5-[3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 159703083
4-(2,6-dimethyl-4-phenylmethoxyphenyl)benzaldehyde
CID 101137305
1,3-dimethyl-5-[3-(N-methylanilino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070909
1,3-difluoro-2-methyl-5-phenylmethoxybenzene;ethane
CID 142106571

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one?
The IUPAC name of 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one (CID 146534965) is 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one.
What is the SMILES notation for 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one?
The canonical SMILES for 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one is CSc1cc(OCc2ccccc2)cc(-c2cc(C)c(=O)n(C)c2)c1.
What is the InChIKey of 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one?
The InChIKey is SJBOIAIHXXNKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2S/c1-15-9-18(13-22(2)21(15)23)17-10-19(12-20(11-17)25-3)24-14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one?
1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one has a molecular weight of 351.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-methylsulfanyl-5-phenylmethoxyphenyl)pyridin-2-one is sourced from PubChem (CID 146534965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).