5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one

C20H23F2NO2S — CID 134311065

IUPAC5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one
SMILESCSc1ccc(OC2CCC(F)(F)CC2)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C20H23F2NO2S/c1-13-10-14(12-23(2)19(13)24)17-11-16(26-3)4-5-18(17)25-15-6-8-20(21,22)9-7-15/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyZQTQYCUOZDLRNS-UHFFFAOYSA-N
MW379.47 g/mol
LogP5.04
Rot. Bonds4

About 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one

5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one (PubChem CID 134311065) has the molecular formula C20H23F2NO2S and a molecular weight of 379.47 g/mol. Its IUPAC name is 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one
PubChem CID134311065
Molecular FormulaC20H23F2NO2S
Molecular Weight379.47 g/mol
Exact Mass379.14
IUPAC Name5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one
SMILESCSc1ccc(OC2CCC(F)(F)CC2)c(-c2cc(C)c(=O)n(C)c2)c1
InChIInChI=1S/C20H23F2NO2S/c1-13-10-14(12-23(2)19(13)24)17-11-16(26-3)4-5-18(17)25-15-6-8-20(21,22)9-7-15/h4-5,10-12,15H,6-9H2,1-3H3
InChIKeyZQTQYCUOZDLRNS-UHFFFAOYSA-N
XLogP5.04
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.47
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one (CID 134311065) is 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one is CSc1ccc(OC2CCC(F)(F)CC2)c(-c2cc(C)c(=O)n(C)c2)c1.
What is the InChIKey of 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one?
The InChIKey is ZQTQYCUOZDLRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2NO2S/c1-13-10-14(12-23(2)19(13)24)17-11-16(26-3)4-5-18(17)25-15-6-8-20(21,22)9-7-15/h4-5,10-12,15H,6-9H2,1-3H3.
What are the key properties of 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one?
5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one has a molecular weight of 379.47 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4,4-difluorocyclohexyl)oxy-5-methylsulfanylphenyl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 134311065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).