4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one

C24H19NO2S — CID 54686576

IUPAC4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one
SMILESCc1c(O)c(Sc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H19NO2S/c1-17-21(18-11-5-2-6-12-18)25(19-13-7-3-8-14-19)24(27)23(22(17)26)28-20-15-9-4-10-16-20/h2-16,26H,1H3
InChIKeyWNAILYIENRAFJO-UHFFFAOYSA-N
MW385.49 g/mol
LogP5.67
Rot. Bonds4

About 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one

4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one (PubChem CID 54686576) has the molecular formula C24H19NO2S and a molecular weight of 385.49 g/mol. Its IUPAC name is 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one
PubChem CID54686576
Molecular FormulaC24H19NO2S
Molecular Weight385.49 g/mol
Exact Mass385.11
IUPAC Name4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one
SMILESCc1c(O)c(Sc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C24H19NO2S/c1-17-21(18-11-5-2-6-12-18)25(19-13-7-3-8-14-19)24(27)23(22(17)26)28-20-15-9-4-10-16-20/h2-16,26H,1H3
InChIKeyWNAILYIENRAFJO-UHFFFAOYSA-N
XLogP5.67
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.49
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one?
The IUPAC name of 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one (CID 54686576) is 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one?
The canonical SMILES for 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one is Cc1c(O)c(Sc2ccccc2)c(=O)n(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one?
The InChIKey is WNAILYIENRAFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO2S/c1-17-21(18-11-5-2-6-12-18)25(19-13-7-3-8-14-19)24(27)23(22(17)26)28-20-15-9-4-10-16-20/h2-16,26H,1H3.
What are the key properties of 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one?
4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one has a molecular weight of 385.49 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methyl-1,6-diphenyl-3-phenylsulfanylpyridin-2-one is sourced from PubChem (CID 54686576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).