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

C23H19NO3S — CID 4024847

IUPAC4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccccc1)c1cccs1
InChIInChI=1S/C23H19NO3S/c25-21(18-12-7-15-28-18)19-20(17-10-5-2-6-11-17)24(23(27)22(19)26)14-13-16-8-3-1-4-9-16/h1-12,15,20,26H,13-14H2
InChIKeyRLSQEJGNVSFWAT-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.57
Rot. Bonds6

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

4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 4024847) has the molecular formula C23H19NO3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID4024847
Molecular FormulaC23H19NO3S
Molecular Weight389.48 g/mol
Exact Mass389.11
IUPAC Name4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccccc1)c1cccs1
InChIInChI=1S/C23H19NO3S/c25-21(18-12-7-15-28-18)19-20(17-10-5-2-6-11-17)24(23(27)22(19)26)14-13-16-8-3-1-4-9-16/h1-12,15,20,26H,13-14H2
InChIKeyRLSQEJGNVSFWAT-UHFFFAOYSA-N
XLogP4.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 4024847) is 4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1ccccc1)c1cccs1.
What is the InChIKey of 4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is RLSQEJGNVSFWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3S/c25-21(18-12-7-15-28-18)19-20(17-10-5-2-6-11-17)24(23(27)22(19)26)14-13-16-8-3-1-4-9-16/h1-12,15,20,26H,13-14H2.
What are the key properties of 4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 389.48 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenyl-1-(2-phenylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4024847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).