4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one

C25H23NO3S — CID 102529446

IUPAC4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3cccc(C)c3)C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H23NO3S/c1-18-11-13-22(14-12-18)30(28,29)26-16-15-23(21-10-6-7-19(2)17-21)24(25(26)27)20-8-4-3-5-9-20/h3-15,17,24H,16H2,1-2H3
InChIKeyRENZXJAGSXEISG-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.70
Rot. Bonds4

About 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one

4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one (PubChem CID 102529446) has the molecular formula C25H23NO3S and a molecular weight of 417.53 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one
PubChem CID102529446
Molecular FormulaC25H23NO3S
Molecular Weight417.53 g/mol
Exact Mass417.14
IUPAC Name4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CC=C(c3cccc(C)c3)C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C25H23NO3S/c1-18-11-13-22(14-12-18)30(28,29)26-16-15-23(21-10-6-7-19(2)17-21)24(25(26)27)20-8-4-3-5-9-20/h3-15,17,24H,16H2,1-2H3
InChIKeyRENZXJAGSXEISG-UHFFFAOYSA-N
XLogP4.70
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylphenyl)sulfonyl-3,4-diphenyl-3,6-dihydro-2H-pyridine
CID 102402863
5-methyl-1-(4-methylphenyl)sulfonyl-6-phenyl-2H-pyridine
CID 102581556
3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992749
(4R)-3-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylimidazolidine
CID 132992660
1-(4-methylphenyl)sulfonyl-6-nitro-4-phenyl-2H-quinoline
CID 134926206
2-(4-bromophenyl)sulfonyl-4-(4-methylphenyl)-1,4-dihydroisoquinolin-3-one
CID 138973498
1-(4-methylphenyl)sulfonyl-2-phenyl-2,6-dihydropyridin-3-one
CID 90424128
2-[1-[4-(3-methylphenyl)phenyl]sulfonylazetidin-3-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 86265427
1-(4-methylphenyl)sulfonyl-4-phenyl-2,6-dihydropyridin-3-one
CID 102280475
3-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-4,5-diphenyl-2,3-dihydropyridin-6-one
CID 155907297
5,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydro-3-benzazepin-4-one
CID 155907249
5-methyl-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 132940995

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one?
The IUPAC name of 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one (CID 102529446) is 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one.
What is the SMILES notation for 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one?
The canonical SMILES for 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one is Cc1ccc(S(=O)(=O)N2CC=C(c3cccc(C)c3)C(c3ccccc3)C2=O)cc1.
What is the InChIKey of 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one?
The InChIKey is RENZXJAGSXEISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO3S/c1-18-11-13-22(14-12-18)30(28,29)26-16-15-23(21-10-6-7-19(2)17-21)24(25(26)27)20-8-4-3-5-9-20/h3-15,17,24H,16H2,1-2H3.
What are the key properties of 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one?
4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one has a molecular weight of 417.53 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyl-5-phenyl-2,5-dihydropyridin-6-one is sourced from PubChem (CID 102529446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).