6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one

C19H25FN2O2S — CID 169250235

IUPAC6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
SMILES[H]N=S(C)(=O)c1c(C)[nH]c(-c2c(C)cc(C(C)(C)C)c(C)c2F)cc1=O
InChIInChI=1S/C19H25FN2O2S/c1-10-8-13(19(4,5)6)11(2)17(20)16(10)14-9-15(23)18(12(3)22-14)25(7,21)24/h8-9,21H,1-7H3,(H,22,23)
InChIKeyQYWVQIRIBKKFBT-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.44
Rot. Bonds2

About 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one

6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one (PubChem CID 169250235) has the molecular formula C19H25FN2O2S and a molecular weight of 364.49 g/mol. Its IUPAC name is 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
PubChem CID169250235
Molecular FormulaC19H25FN2O2S
Molecular Weight364.49 g/mol
Exact Mass364.16
IUPAC Name6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one
SMILES[H]N=S(C)(=O)c1c(C)[nH]c(-c2c(C)cc(C(C)(C)C)c(C)c2F)cc1=O
InChIInChI=1S/C19H25FN2O2S/c1-10-8-13(19(4,5)6)11(2)17(20)16(10)14-9-15(23)18(12(3)22-14)25(7,21)24/h8-9,21H,1-7H3,(H,22,23)
InChIKeyQYWVQIRIBKKFBT-UHFFFAOYSA-N
XLogP4.44
TPSA73.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-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 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one?
The IUPAC name of 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one (CID 169250235) is 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one.
What is the SMILES notation for 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one?
The canonical SMILES for 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one is [H]N=S(C)(=O)c1c(C)[nH]c(-c2c(C)cc(C(C)(C)C)c(C)c2F)cc1=O.
What is the InChIKey of 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one?
The InChIKey is QYWVQIRIBKKFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2S/c1-10-8-13(19(4,5)6)11(2)17(20)16(10)14-9-15(23)18(12(3)22-14)25(7,21)24/h8-9,21H,1-7H3,(H,22,23).
What are the key properties of 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one?
6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one has a molecular weight of 364.49 g/mol, XLogP of 4.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-2-fluoro-3,6-dimethylphenyl)-2-methyl-3-(methylsulfonimidoyl)-1H-pyridin-4-one is sourced from PubChem (CID 169250235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).