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

C24H20FNO2S — CID 51982151

IUPAC(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FNO2S/c1-29-20-13-7-16(8-14-20)15-26-22(18-9-11-19(25)12-10-18)21(23(27)24(26)28)17-5-3-2-4-6-17/h2-14,22,27H,15H2,1H3/t22-/m1/s1
InChIKeyRMQJDVUXCUNKHL-JOCHJYFZSA-N
MW405.49 g/mol
LogP5.60
Rot. Bonds5

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

(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (PubChem CID 51982151) has the molecular formula C24H20FNO2S and a molecular weight of 405.49 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
PubChem CID51982151
Molecular FormulaC24H20FNO2S
Molecular Weight405.49 g/mol
Exact Mass405.12
IUPAC Name(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
SMILESCSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C24H20FNO2S/c1-29-20-13-7-16(8-14-20)15-26-22(18-9-11-19(25)12-10-18)21(23(27)24(26)28)17-5-3-2-4-6-17/h2-14,22,27H,15H2,1H3/t22-/m1/s1
InChIKeyRMQJDVUXCUNKHL-JOCHJYFZSA-N
XLogP5.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(4-bromophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982155
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 51982027
(2S)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073481
(2R)-1-benzyl-2,3-bis(4-fluorophenyl)-4-hydroxy-2H-pyrrol-5-one
CID 94073480
(2R)-2-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 94072981
(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-3-(4-methylphenyl)-2-phenyl-2H-pyrrol-5-one
CID 51982059
1-benzyl-3-(4-fluorophenyl)-4-hydroxy-2-phenyl-2H-pyrrol-5-one
CID 45031889
(2S)-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072901
methyl 4-[(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-2-yl]benzoate
CID 94073138
2-(2-chlorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774388
(2S)-1-benzyl-2-(4-ethylphenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one
CID 51981990
(2R)-1-[(4-chlorophenyl)methyl]-2-(4-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94073298

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The IUPAC name of (2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one (CID 51982151) is (2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is CSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
The InChIKey is RMQJDVUXCUNKHL-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H20FNO2S/c1-29-20-13-7-16(8-14-20)15-26-22(18-9-11-19(25)12-10-18)21(23(27)24(26)28)17-5-3-2-4-6-17/h2-14,22,27H,15H2,1H3/t22-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one?
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one has a molecular weight of 405.49 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methylsulfanylphenyl)methyl]-3-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 51982151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).