1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one

C16H15NO3S2 — CID 164898018

IUPAC1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cccs3)=CC2=O)cc1
InChIInChI=1S/C16H15NO3S2/c1-12-4-6-14(7-5-12)22(19,20)17-9-8-13(11-16(17)18)15-3-2-10-21-15/h2-7,10-11H,8-9H2,1H3
InChIKeyIEYGJGRNHFDAHJ-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one

1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one (PubChem CID 164898018) has the molecular formula C16H15NO3S2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one
PubChem CID164898018
Molecular FormulaC16H15NO3S2
Molecular Weight333.43 g/mol
Exact Mass333.05
IUPAC Name1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one
SMILESCc1ccc(S(=O)(=O)N2CCC(c3cccs3)=CC2=O)cc1
InChIInChI=1S/C16H15NO3S2/c1-12-4-6-14(7-5-12)22(19,20)17-9-8-13(11-16(17)18)15-3-2-10-21-15/h2-7,10-11H,8-9H2,1H3
InChIKeyIEYGJGRNHFDAHJ-UHFFFAOYSA-N
XLogP3.06
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methylphenyl)-1-(4-methylphenyl)sulfonyl-2,3-dihydropyridin-6-one
CID 164898045
2-(4-methylphenyl)sulfonyl-3,4-dihydroisoquinolin-1-one
CID 11472135
1-(4-methylphenyl)sulfonyl-2-propan-2-ylideneazetidine
CID 101424960
3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 10956008
1-(4-methylphenyl)sulfonyl-4-thiophen-2-ylimidazole
CID 132933457
1,4-bis-(4-methylphenyl)sulfonyl-3,5,6,7-tetrahydro-2H-pyrrolo[3,2-b]pyridine
CID 101444934
2-(4-methylphenyl)sulfonyl-3-thiophen-2-yl-6,7-dihydroindazole
CID 172640453
1-(4-methylphenyl)sulfonyl-4-trimethylsilyl-2,3-dihydrocyclopenta[b]pyrrol-5-one
CID 101058095
1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
CID 175302706
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
trimethyl-[(E)-[3-methylidene-1-(4-methylphenyl)sulfonylpyrrolidin-2-ylidene]methyl]silane
CID 102434471
[(E)-[5-(4-methylphenyl)-3-thiophen-2-ylcyclohex-2-en-1-ylidene]amino] 4-methylbenzenesulfonate
CID 11510427

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one (CID 164898018) is 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one is Cc1ccc(S(=O)(=O)N2CCC(c3cccs3)=CC2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one?
The InChIKey is IEYGJGRNHFDAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S2/c1-12-4-6-14(7-5-12)22(19,20)17-9-8-13(11-16(17)18)15-3-2-10-21-15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one?
1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one has a molecular weight of 333.43 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-4-thiophen-2-yl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 164898018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).