2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C23H18BrNO3S — CID 4010459

IUPAC2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C23H18BrNO3S/c24-17-10-8-16(9-11-17)20-19(21(26)18-7-4-14-29-18)22(27)23(28)25(20)13-12-15-5-2-1-3-6-15/h1-11,14,20,27H,12-13H2
InChIKeyMDMFFPUKYUUJFQ-UHFFFAOYSA-N
MW468.37 g/mol
LogP5.33
Rot. Bonds6

About 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 4010459) has the molecular formula C23H18BrNO3S and a molecular weight of 468.37 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID4010459
Molecular FormulaC23H18BrNO3S
Molecular Weight468.37 g/mol
Exact Mass467.02
IUPAC Name2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(Br)cc1)c1cccs1
InChIInChI=1S/C23H18BrNO3S/c24-17-10-8-16(9-11-17)20-19(21(26)18-7-4-14-29-18)22(27)23(28)25(20)13-12-15-5-2-1-3-6-15/h1-11,14,20,27H,12-13H2
InChIKeyMDMFFPUKYUUJFQ-UHFFFAOYSA-N
XLogP5.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.37
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-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

3-Hydroxy-5-phenyl-4-(thiophene-2-carbonyl)-1,5-dihydro-pyrrol-2-one
CID 647511
5-(3-bromophenyl)-3-hydroxy-1-(2-morpholin-4-ylethyl)-4-(thien-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2908193
[4-(4-Bromobenzoyl)piperazin-1-yl]-(4-thiophen-2-ylphenyl)methanone
CID 122189061
4-Acetyl-1-benzyl-3-hydroxy-5-thiophen-2-yl-1,5-dihydro-pyrrol-2-one
CID 646382
3-Hydroxy-1-(2-methoxyethyl)-5-phenyl-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3147557
Cambridge id 6641206
CID 2907786
1-(2-(dimethylamino)ethyl)-5-(2-fluorophenyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2910181
1-[2-(diethylamino)ethyl]-5-(2-fluorophenyl)-3-hydroxy-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2926414
1-[3-(Dimethylamino)propyl]-5-(3-bromophenyl)-3-hydroxy-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 2910409
1-[2-(dimethylamino)ethyl]-3-hydroxy-5-(4-methylphenyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2912923
3-hydroxy-5-phenyl-1-(2-phenylethyl)-4-(thiophen-2-ylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 4024847
(4E)-5-(3-bromophenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
CID 2918321

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 4010459) is 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccc(Br)cc1)c1cccs1.
What is the InChIKey of 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is MDMFFPUKYUUJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrNO3S/c24-17-10-8-16(9-11-17)20-19(21(26)18-7-4-14-29-18)22(27)23(28)25(20)13-12-15-5-2-1-3-6-15/h1-11,14,20,27H,12-13H2.
What are the key properties of 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 468.37 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-hydroxy-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4010459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).