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

C18H18N2O3S — CID 102225194

IUPAC2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NC(c2ccccc2)CC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(22,23)20-14(2)19-17(12-18(20)21)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3
InChIKeyJNRVKOLAWAYNHF-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.08
Rot. Bonds3

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

2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one (PubChem CID 102225194) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one
PubChem CID102225194
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one
SMILESCC1=NC(c2ccccc2)CC(=O)N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(22,23)20-14(2)19-17(12-18(20)21)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3
InChIKeyJNRVKOLAWAYNHF-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Methylphenyl)sulfonyl-2-phenyl-4,5-dihydropyrimidin-6-one
CID 102225186
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
N,N-diethyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 101472582
3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 3871257
N-tert-butyl-3-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 3914679
3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 5003522
(3R)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 26477607
(3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 26477608
(3S)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 26477612
(3R)-3-[(4-methylphenyl)sulfonylamino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 26477613
1-(2-Cyclohexylimino-1-pyridinyl)-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 46696463

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one (CID 102225194) is 2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one is CC1=NC(c2ccccc2)CC(=O)N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one?
The InChIKey is JNRVKOLAWAYNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-8-10-16(11-9-13)24(22,23)20-14(2)19-17(12-18(20)21)15-6-4-3-5-7-15/h3-11,17H,12H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one?
2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one has a molecular weight of 342.42 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 102225194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).