1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one

C24H21NO3S — CID 4662918

IUPAC1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccs1
InChIInChI=1S/C24H21NO3S/c26-19(14-13-17-8-3-1-4-9-17)21-22(20-12-7-15-29-20)25(24(28)23(21)27)16-18-10-5-2-6-11-18/h1-12,15,22,27H,13-14,16H2
InChIKeySBIPFSXZIRWOFG-UHFFFAOYSA-N
MW403.50 g/mol
LogP4.85
Rot. Bonds7

About 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one

1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 4662918) has the molecular formula C24H21NO3S and a molecular weight of 403.50 g/mol. Its IUPAC name is 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID4662918
Molecular FormulaC24H21NO3S
Molecular Weight403.50 g/mol
Exact Mass403.12
IUPAC Name1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccs1
InChIInChI=1S/C24H21NO3S/c26-19(14-13-17-8-3-1-4-9-17)21-22(20-12-7-15-29-20)25(24(28)23(21)27)16-18-10-5-2-6-11-18/h1-12,15,22,27H,13-14,16H2
InChIKeySBIPFSXZIRWOFG-UHFFFAOYSA-N
XLogP4.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 108622009
4-hydroxy-1-phenyl-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
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1-(2,3-dimethylphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108622879
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CID 108587569
4-[4-hydroxy-5-oxo-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-1-yl]benzenesulfonamide
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4-hydroxy-2-(2-methoxyphenyl)-3-(3-phenylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
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4-hydroxy-2-(3-methylphenyl)-3-(3-phenylpropanoyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
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1-[(4-fluorophenyl)methyl]-4-hydroxy-2-(4-hydroxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 108583313
4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(3-phenylpropanoyl)-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594177
1-benzyl-4-hydroxy-2-(3-methoxyphenyl)-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
CID 5056727
1-benzyl-2-(2,4-dimethoxyphenyl)-4-hydroxy-3-(3-phenylpropanoyl)-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 4662918) is 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(CCc1ccccc1)C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccs1.
What is the InChIKey of 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is SBIPFSXZIRWOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3S/c26-19(14-13-17-8-3-1-4-9-17)21-22(20-12-7-15-29-20)25(24(28)23(21)27)16-18-10-5-2-6-11-18/h1-12,15,22,27H,13-14,16H2.
What are the key properties of 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 403.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-hydroxy-3-(3-phenylpropanoyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 4662918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).