4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C22H17NO4S — CID 108618757

IUPAC4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccccc2O)c1
InChIInChI=1S/C22H17NO4S/c1-13-6-4-7-14(12-13)19-18(20(25)17-10-5-11-28-17)21(26)22(27)23(19)15-8-2-3-9-16(15)24/h2-12,19,24,26H,1H3
InChIKeyLCFDYENMSFIBAT-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.55
Rot. Bonds4

About 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108618757) has the molecular formula C22H17NO4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108618757
Molecular FormulaC22H17NO4S
Molecular Weight391.45 g/mol
Exact Mass391.09
IUPAC Name4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccccc2O)c1
InChIInChI=1S/C22H17NO4S/c1-13-6-4-7-14(12-13)19-18(20(25)17-10-5-11-28-17)21(26)22(27)23(19)15-8-2-3-9-16(15)24/h2-12,19,24,26H,1H3
InChIKeyLCFDYENMSFIBAT-UHFFFAOYSA-N
XLogP4.55
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108584631
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108647328
1-(4-fluorophenyl)-4-hydroxy-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108618583
4-hydroxy-1-(2-hydroxyphenyl)-2-(2-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108579014
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)-2H-pyrrol-5-one
CID 108618838
4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108658214
4-hydroxy-1-(2-hydroxyphenyl)-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108603727
4-hydroxy-1-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108585066
1-(4-chlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108605032
(2S)-4-hydroxy-2-(3-hydroxyphenyl)-1-(1,3-thiazol-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 97037363
4-hydroxy-1-(4-methylphenyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626407
4-[4-hydroxy-5-oxo-2-phenyl-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzonitrile
CID 108639435

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108618757) is 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is Cc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2ccccc2O)c1.
What is the InChIKey of 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is LCFDYENMSFIBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO4S/c1-13-6-4-7-14(12-13)19-18(20(25)17-10-5-11-28-17)21(26)22(27)23(19)15-8-2-3-9-16(15)24/h2-12,19,24,26H,1H3.
What are the key properties of 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 391.45 g/mol, XLogP of 4.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxyphenyl)-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108618757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).