(4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one

C25H23NO3S — CID 101049773

IUPAC(4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one
SMILESCOc1ccc(N2C=C(S(=O)c3ccc(C)cc3)[C@H](c3ccccc3)CC2=O)cc1
InChIInChI=1S/C25H23NO3S/c1-18-8-14-22(15-9-18)30(28)24-17-26(20-10-12-21(29-2)13-11-20)25(27)16-23(24)19-6-4-3-5-7-19/h3-15,17,23H,16H2,1-2H3/t23-,30?/m0/s1
InChIKeyVUCWYVNMHMWODU-IHOKFDBFSA-N
MW417.53 g/mol
LogP5.17
Rot. Bonds5

About (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one

(4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one (PubChem CID 101049773) has the molecular formula C25H23NO3S and a molecular weight of 417.53 g/mol. Its IUPAC name is (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name(4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one
PubChem CID101049773
Molecular FormulaC25H23NO3S
Molecular Weight417.53 g/mol
Exact Mass417.14
IUPAC Name(4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one
SMILESCOc1ccc(N2C=C(S(=O)c3ccc(C)cc3)[C@H](c3ccccc3)CC2=O)cc1
InChIInChI=1S/C25H23NO3S/c1-18-8-14-22(15-9-18)30(28)24-17-26(20-10-12-21(29-2)13-11-20)25(27)16-23(24)19-6-4-3-5-7-19/h3-15,17,23H,16H2,1-2H3/t23-,30?/m0/s1
InChIKeyVUCWYVNMHMWODU-IHOKFDBFSA-N
XLogP5.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(4-methoxyphenyl)-4-phenylazetidin-2-one
CID 10354907
(4S)-4-(4-methoxyphenyl)-1-(4-methylphenyl)-3-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136909863
(3S,4S)-1-(4-methoxyphenyl)-4-[3-[(S)-(4-methylphenyl)sulfinyl]furan-2-yl]-3-phenylmethoxyazetidin-2-one
CID 10907071
(4R)-1-(4-methoxyphenyl)-4-phenylpiperidin-2-one
CID 122401830
(5R)-5-(4-fluorophenyl)-2-(4-methoxyphenyl)-6-(trifluoromethyl)-4,5-dihydropyridazin-3-one
CID 122382526
(3aR,4R,7R,7aR)-2-(4-methoxyphenyl)-4,7-diphenyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 124775903
(3S,4S)-1-(4-methoxyphenyl)-3-methyl-4-[3-[(S)-(4-methylphenyl)sulfinyl]furan-2-yl]azetidin-2-one
CID 11047527
[3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 3753761
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
4-(4-methoxyphenyl)-1-(4-phenoxyphenyl)-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-2,5-dione
CID 23743938
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
3-[1-(4-methoxyphenyl)-3-(4-methylphenyl)-2-oxo-1,3,2λ5-diazaphosphinan-2-yl]-1-phenylpyrrolidine-2,5-dione
CID 134272265

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one?
The IUPAC name of (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one (CID 101049773) is (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one?
The canonical SMILES for (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one is COc1ccc(N2C=C(S(=O)c3ccc(C)cc3)[C@H](c3ccccc3)CC2=O)cc1.
What is the InChIKey of (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one?
The InChIKey is VUCWYVNMHMWODU-IHOKFDBFSA-N. The full InChI is InChI=1S/C25H23NO3S/c1-18-8-14-22(15-9-18)30(28)24-17-26(20-10-12-21(29-2)13-11-20)25(27)16-23(24)19-6-4-3-5-7-19/h3-15,17,23H,16H2,1-2H3/t23-,30?/m0/s1.
What are the key properties of (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one?
(4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one has a molecular weight of 417.53 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(4-methoxyphenyl)-5-(4-methylphenyl)sulfinyl-4-phenyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 101049773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).