1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one

C19H18N2O3S — CID 102225195

IUPAC1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-15-7-10-17(11-8-15)25(23,24)21-18(20-14-13-19(21)22)12-9-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b12-9+
InChIKeyZVDSFKZFNHLEBT-FMIVXFBMSA-N
MW354.43 g/mol
LogP3.03
Rot. Bonds4

About 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one

1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one (PubChem CID 102225195) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one
PubChem CID102225195
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one
SMILESCc1ccc(S(=O)(=O)N2C(=O)CCN=C2/C=C/c2ccccc2)cc1
InChIInChI=1S/C19H18N2O3S/c1-15-7-10-17(11-8-15)25(23,24)21-18(20-14-13-19(21)22)12-9-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b12-9+
InChIKeyZVDSFKZFNHLEBT-FMIVXFBMSA-N
XLogP3.03
TPSA66.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.03
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
2-Methyl-1-(4-methylphenyl)sulfonyl-4-phenyl-4,5-dihydropyrimidin-6-one
CID 102225194
2-Cyclohexyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102225196
4-[(E)-3-(2-cyclohexylimino-1-pyridinyl)-3-oxoprop-1-enyl]-N,N-diethylbenzenesulfonamide
CID 16605071
8-(4-methylphenyl)sulfonyl-3,4,7,9-tetrahydro-2H-pyrazino[1,2-a]pyrimidin-6-one
CID 46847174
2-(4-Methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102225187
6,6-dimethyl-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonyl-5H-pyrimidin-4-one
CID 102225197
1-(4-methylphenyl)sulfonyl-2-[(E)-prop-1-enyl]-4,5-dihydropyrimidin-6-one
CID 102363745
2-(2-Methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102363746
2-Methyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102363747
2-Benzyl-1-(4-methylphenyl)sulfonyl-4,5-dihydropyrimidin-6-one
CID 102363750

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one (CID 102225195) is 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one is Cc1ccc(S(=O)(=O)N2C(=O)CCN=C2/C=C/c2ccccc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one?
The InChIKey is ZVDSFKZFNHLEBT-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-15-7-10-17(11-8-15)25(23,24)21-18(20-14-13-19(21)22)12-9-16-5-3-2-4-6-16/h2-12H,13-14H2,1H3/b12-9+.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one?
1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one has a molecular weight of 354.43 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 102225195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).