2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one

C24H20ClNO2S — CID 50774388

IUPAC2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)C2c2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClNO2S/c1-29-18-13-11-16(12-14-18)15-26-22(19-9-5-6-10-20(19)25)21(23(27)24(26)28)17-7-3-2-4-8-17/h2-14,22,27H,15H2,1H3
InChIKeyZQEQYVZLRBWPDK-UHFFFAOYSA-N
MW421.95 g/mol
LogP6.11
Rot. Bonds5

About 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one

2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (PubChem CID 50774388) has the molecular formula C24H20ClNO2S and a molecular weight of 421.95 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
PubChem CID50774388
Molecular FormulaC24H20ClNO2S
Molecular Weight421.95 g/mol
Exact Mass421.09
IUPAC Name2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)C2c2ccccc2Cl)cc1
InChIInChI=1S/C24H20ClNO2S/c1-29-18-13-11-16(12-14-18)15-26-22(19-9-5-6-10-20(19)25)21(23(27)24(26)28)17-7-3-2-4-8-17/h2-14,22,27H,15H2,1H3
InChIKeyZQEQYVZLRBWPDK-UHFFFAOYSA-N
XLogP6.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.95
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]-2H-pyrrol-5-one
CID 94073154
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982151
(2R)-2-(4-bromophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982155
(2R)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94071792
(2S)-2-(2-bromophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982037
(2S)-2-(2-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072902
3-(4-chlorophenyl)-2-(2-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2H-pyrrol-5-one
CID 50743717
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990
1-benzyl-2-(2-bromophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 50774220
1-[(4-chlorophenyl)methyl]-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 50773881
1-[(4-chlorophenyl)methyl]-4-hydroxy-2-(4-methylphenyl)-3-phenyl-2H-pyrrol-5-one
CID 45031876
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (CID 50774388) is 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is CSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)C2c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The InChIKey is ZQEQYVZLRBWPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO2S/c1-29-18-13-11-16(12-14-18)15-26-22(19-9-5-6-10-20(19)25)21(23(27)24(26)28)17-7-3-2-4-8-17/h2-14,22,27H,15H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one has a molecular weight of 421.95 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 50774388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).