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

C18H18N2O3S — CID 102225187

IUPAC2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(C2=NCCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-3-7-15(8-4-13)18-19-12-11-17(21)20(18)24(22,23)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyFSLWKHVPNHUSLV-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.67
Rot. Bonds3

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

2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (PubChem CID 102225187) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
PubChem CID102225187
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(C2=NCCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-3-7-15(8-4-13)18-19-12-11-17(21)20(18)24(22,23)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
InChIKeyFSLWKHVPNHUSLV-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

(E)-N,N-Diethyl-N'-(4-methylbenzenesulfonyl)benzenecarboximidamide
CID 5727124
N,N-diethyl-N'-(4-methylphenyl)sulfonylbenzenecarboximidamide
CID 2872827
N-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]ethyl]-N-methyl-3-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 58638716
3-[[C-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]but-1-en-2-yl]-N-methylcarbonimidoyl]amino]-N-(3,3,3-trifluoropropyl)propanamide
CID 166725332
(NE)-4-methyl-N-[phenyl(piperidin-1-yl)methylidene]benzenesulfonamide
CID 6516733
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
(NE)-4-methyl-N-[(4-methylphenyl)-pyrrolidin-1-ylmethylidene]benzenesulfonamide
CID 135016478
4-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzenesulfonamide
CID 16764277
4-methyl-N-[5-oxo-2-phenyl-1-(prop-2-en-1-yl)-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]benzenesulfonamide
CID 16764278

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one (CID 102225187) is 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is Cc1ccc(C2=NCCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
The InChIKey is FSLWKHVPNHUSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-3-7-15(8-4-13)18-19-12-11-17(21)20(18)24(22,23)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one?
2-(4-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-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 102225187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).