2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one

C18H18N2O3S — CID 102363746

IUPAC2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2c2ccccc2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-7-9-15(10-8-13)24(22,23)20-17(21)11-12-19-18(20)16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyFVJAFDZCZIRRPJ-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.67
Rot. Bonds3

About 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one

2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (PubChem CID 102363746) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
PubChem CID102363746
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2c2ccccc2C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-7-9-15(10-8-13)24(22,23)20-17(21)11-12-19-18(20)16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyFVJAFDZCZIRRPJ-UHFFFAOYSA-N
XLogP2.67
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethylphenyl)sulfonyl]-2-phenyl-4,5-dihydro-1H-imidazole
CID 850089
1-(4-Methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one
CID 102225186
2-Methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one
CID 102225194
1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one
CID 102225195
2-Cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102225196
5-[1-(2-Methylphenyl)ethenyl]-1-(4-methylphenyl)sulfonyl-2-phenyl-4,5-dihydroimidazole
CID 154716836
2-(4-Fluorophenyl)-6-(4-methylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135496029
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-pentylphenyl)sulfonylamino]propanamide
CID 11576924
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-methylphenyl)sulfonylamino]propanamide
CID 11662210
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propylphenyl)sulfonylamino]propanamide
CID 11719752
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-phenylphenyl)sulfonylamino]propanamide
CID 11720309
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-(4-propan-2-ylphenyl)sulfonylamino]propanamide
CID 58638728

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (CID 102363746) is 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is Cc1ccc(S(=O)(=O)N2C(=O)CCN=C2c2ccccc2C)cc1.
What is the InChIKey of 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The InChIKey is FVJAFDZCZIRRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-7-9-15(10-8-13)24(22,23)20-17(21)11-12-19-18(20)16-6-4-3-5-14(16)2/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one has a molecular weight of 342.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 102363746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).