(2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one

C20H19NO4S — CID 102357332

IUPAC(2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one
SMILESCOc1ccc(S(=O)(=O)N2C=CC(=O)C[C@@H]2/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H19NO4S/c1-25-19-9-11-20(12-10-19)26(23,24)21-14-13-18(22)15-17(21)8-7-16-5-3-2-4-6-16/h2-14,17H,15H2,1H3/b8-7+/t17-/m0/s1
InChIKeyTTXPGYUNFCYMBF-OZSKJFCKSA-N
MW369.44 g/mol
LogP3.25
Rot. Bonds5

About (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one

(2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one (PubChem CID 102357332) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name(2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one
PubChem CID102357332
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name(2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one
SMILESCOc1ccc(S(=O)(=O)N2C=CC(=O)C[C@@H]2/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H19NO4S/c1-25-19-9-11-20(12-10-19)26(23,24)21-14-13-18(22)15-17(21)8-7-16-5-3-2-4-6-16/h2-14,17H,15H2,1H3/b8-7+/t17-/m0/s1
InChIKeyTTXPGYUNFCYMBF-OZSKJFCKSA-N
XLogP3.25
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5R)-4-(4-methoxyphenyl)-5-[(E)-2-(4-methoxyphenyl)ethenyl]-1-(4-methylphenyl)sulfonylpyrrolidin-2-one
CID 101495389
1-(4-methoxyphenyl)sulfonyl-4-(3-phenylprop-2-enyl)piperazin-4-ium
CID 4751871
3-methoxy-1-(4-methoxyphenyl)-4-[(E)-2-phenylethenyl]azetidin-2-one
CID 14738029
4-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]morpholine
CID 162411653
(2R,5R)-1,4-bis[(4-methoxyphenyl)sulfonyl]-2,5-dimethylpiperazine
CID 1294264
7-(4-methoxyphenyl)sulfonyl-7-azabicyclo[4.1.0]heptane
CID 11737230
(5S,7R)-7-ethenyl-2-[(4-methoxyphenyl)methyl]-5-[(Z)-2-phenylethenyl]-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazole-1,3-dione
CID 25023287
5,5-dimethyl-1-(4-methylphenyl)sulfonyl-2-[(E)-2-phenylethenyl]piperidine
CID 102436377
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-[(E)-2-phenylethenyl]aziridine
CID 177413150
(3S)-6-methoxy-3-(2-phenylethenyl)-3,4-dihydroisochromen-1-one
CID 162809905
(2R,5R)-2-methyl-1-(4-methylphenyl)sulfonyl-5-[(E)-2-phenylethenyl]-2,5-dihydropyrrole
CID 134926258
5-[(E)-2-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)sulfonyl-1,3-oxazolidine-2-thione
CID 134716420

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one?
The IUPAC name of (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one (CID 102357332) is (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one.
What is the SMILES notation for (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one?
The canonical SMILES for (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one is COc1ccc(S(=O)(=O)N2C=CC(=O)C[C@@H]2/C=C/c2ccccc2)cc1.
What is the InChIKey of (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one?
The InChIKey is TTXPGYUNFCYMBF-OZSKJFCKSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-25-19-9-11-20(12-10-19)26(23,24)21-14-13-18(22)15-17(21)8-7-16-5-3-2-4-6-16/h2-14,17H,15H2,1H3/b8-7+/t17-/m0/s1.
What are the key properties of (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one?
(2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one has a molecular weight of 369.44 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methoxyphenyl)sulfonyl-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 102357332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).