5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one

C19H17NO3S — CID 91577198

IUPAC5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one
SMILESCOOSc1ccc(-c2ccc(=O)n(-c3cccc(C)c3)c2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-4-3-5-17(12-14)20-13-16(8-11-19(20)21)15-6-9-18(10-7-15)24-23-22-2/h3-13H,1-2H3
InChIKeyBVDQECWRKXKXSK-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.40
Rot. Bonds5

About 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one

5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one (PubChem CID 91577198) has the molecular formula C19H17NO3S and a molecular weight of 339.42 g/mol. Its IUPAC name is 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one.

Molecular Properties

Compound Name5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one
PubChem CID91577198
Molecular FormulaC19H17NO3S
Molecular Weight339.42 g/mol
Exact Mass339.09
IUPAC Name5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one
SMILESCOOSc1ccc(-c2ccc(=O)n(-c3cccc(C)c3)c2)cc1
InChIInChI=1S/C19H17NO3S/c1-14-4-3-5-17(12-14)20-13-16(8-11-19(20)21)15-6-9-18(10-7-15)24-23-22-2/h3-13H,1-2H3
InChIKeyBVDQECWRKXKXSK-UHFFFAOYSA-N
XLogP4.40
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-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

Related Compounds

5-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)pyridin-2-one
CID 58051460
N,N-dimethyl-3-[1-(3-methylphenyl)-6-oxo-3-pyridinyl]benzenesulfonamide
CID 58051455
1-(3-aminophenyl)-5-(4-methoxyphenyl)pyridin-2-one
CID 89122782
1-(3-methylphenyl)-5-(trifluoromethyl)pyridin-2-one
CID 25093743
1-[3-(dimethylamino)phenyl]-5-phenylpyridin-2-one
CID 46853307
ethyl 3-methyl-2-(3-methylphenyl)-6-oxoisoquinoline-4-carboxylate
CID 68720200
1-methyl-2-(3-methylphenyl)pyridazine-3,6-dione
CID 13027273
1-(4-methoxyphenyl)-5-methylpyridin-2-one;5-methyl-1-(4-methylphenyl)pyridin-2-one;5-methyl-1-(3-nitrophenyl)pyridin-2-one;5-methyl-1-phenylpyridin-2-one
CID 158902069
methyl 5-bromo-1-(3-methylphenyl)-2-oxopyridine-3-carboxylate
CID 165416841
4-[1-(3-methylphenyl)pyrrol-3-yl]benzoic acid
CID 58156749
4-methoxy-2,6-bis(3-methylphenyl)-1,2,4,6-thiatriazinane-3,5-dione
CID 21454850
N-[3-[5-(1-methylpyrazol-4-yl)-2-oxo-1-pyridinyl]phenyl]acetamide
CID 58016352

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one?
The IUPAC name of 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one (CID 91577198) is 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one.
What is the SMILES notation for 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one?
The canonical SMILES for 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one is COOSc1ccc(-c2ccc(=O)n(-c3cccc(C)c3)c2)cc1.
What is the InChIKey of 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one?
The InChIKey is BVDQECWRKXKXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3S/c1-14-4-3-5-17(12-14)20-13-16(8-11-19(20)21)15-6-9-18(10-7-15)24-23-22-2/h3-13H,1-2H3.
What are the key properties of 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one?
5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one has a molecular weight of 339.42 g/mol, XLogP of 4.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylperoxysulfanylphenyl)-1-(3-methylphenyl)pyridin-2-one is sourced from PubChem (CID 91577198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).