2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C21H15ClN2O3S — CID 108600215

IUPAC2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccccn2)C1c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C21H15ClN2O3S/c22-14-8-6-13(7-9-14)18-17(19(25)16-5-3-11-28-16)20(26)21(27)24(18)12-15-4-1-2-10-23-15/h1-11,18,26H,12H2
InChIKeyDDMJRLUNUHUREM-UHFFFAOYSA-N
MW410.88 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108600215) has the molecular formula C21H15ClN2O3S and a molecular weight of 410.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108600215
Molecular FormulaC21H15ClN2O3S
Molecular Weight410.88 g/mol
Exact Mass410.05
IUPAC Name2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(Cc2ccccn2)C1c1ccc(Cl)cc1)c1cccs1
InChIInChI=1S/C21H15ClN2O3S/c22-14-8-6-13(7-9-14)18-17(19(25)16-5-3-11-28-16)20(26)21(27)24(18)12-15-4-1-2-10-23-15/h1-11,18,26H,12H2
InChIKeyDDMJRLUNUHUREM-UHFFFAOYSA-N
XLogP4.57
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-4-hydroxy-3-propanoyl-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108600270
2-(4-chlorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108694765
2-(4-chlorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108600273
4-hydroxy-2-pyridin-2-yl-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108627437
2-(4-chlorophenyl)-4-hydroxy-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108600296
1-benzyl-4-hydroxy-2-(4-iodophenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3384698
4-hydroxy-2-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3854736
(2R)-1-benzyl-4-hydroxy-2-(4-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1281508
2-[(2S)-2-(4-chlorophenyl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-diethylazanium
CID 6989186
4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-pyridin-4-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108594105
4-hydroxy-3-(2-methylpropanoyl)-2-(4-propan-2-ylphenyl)-1-(pyridin-2-ylmethyl)-2H-pyrrol-5-one
CID 108602216
2-(4-fluorophenyl)-4-hydroxy-1-(pyridin-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2908271

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108600215) is 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccccn2)C1c1ccc(Cl)cc1)c1cccs1.
What is the InChIKey of 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is DDMJRLUNUHUREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClN2O3S/c22-14-8-6-13(7-9-14)18-17(19(25)16-5-3-11-28-16)20(26)21(27)24(18)12-15-4-1-2-10-23-15/h1-11,18,26H,12H2.
What are the key properties of 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 410.88 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-hydroxy-1-(pyridin-2-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108600215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).