2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C22H19NO4S — CID 108653199

IUPAC2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccco2)cc1
InChIInChI=1S/C22H19NO4S/c1-13(2)14-7-9-15(10-8-14)23-19(16-5-3-11-27-16)18(21(25)22(23)26)20(24)17-6-4-12-28-17/h3-13,19,25H,1-2H3
InChIKeyWLZMCFFECBKYQI-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.25
Rot. Bonds5

About 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108653199) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108653199
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC Name2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccco2)cc1
InChIInChI=1S/C22H19NO4S/c1-13(2)14-7-9-15(10-8-14)23-19(16-5-3-11-27-16)18(21(25)22(23)26)20(24)17-6-4-12-28-17/h3-13,19,25H,1-2H3
InChIKeyWLZMCFFECBKYQI-UHFFFAOYSA-N
XLogP5.25
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]benzoate
CID 45128892
1-(2,4-difluorophenyl)-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108655634
2-[2-(furan-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium
CID 5081639
1-[3-(dimethylamino)propyl]-2-(furan-2-yl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 2910001
1-(4-chlorophenyl)-3-(2,2-dimethylpropanoyl)-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108654730
1-(4-chlorophenyl)-2-(furan-2-yl)-4-hydroxy-3-propanoyl-2H-pyrrol-5-one
CID 108654732
4-[[2-(furan-2-yl)-4-hydroxy-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-1-yl]methyl]benzoic acid
CID 108607381
1-(4-fluorophenyl)-4-hydroxy-2-(4-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108616422
2-(furan-2-yl)-4-hydroxy-3-(3-methylbutanoyl)-1-phenyl-2H-pyrrol-5-one
CID 108654648
1-(4-chlorophenyl)-4-hydroxy-2-(3-hydroxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108605032
4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108658214
4-hydroxy-1-(4-methylphenyl)-2-pyridin-2-yl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108626407

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108653199) is 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CC(C)c1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)C2c2ccco2)cc1.
What is the InChIKey of 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is WLZMCFFECBKYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-13(2)14-7-9-15(10-8-14)23-19(16-5-3-11-27-16)18(21(25)22(23)26)20(24)17-6-4-12-28-17/h3-13,19,25H,1-2H3.
What are the key properties of 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 393.46 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-hydroxy-1-(4-propan-2-ylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108653199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).