4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide

C18H18N2O6S — CID 108686176

IUPAC4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(C)o1
InChIInChI=1S/C18H18N2O6S/c1-3-13(21)15-16(14-9-4-10(2)26-14)20(18(23)17(15)22)11-5-7-12(8-6-11)27(19,24)25/h4-9,16,22H,3H2,1-2H3,(H2,19,24,25)
InChIKeyXAYNIEOPBIETLD-UHFFFAOYSA-N
MW390.42 g/mol
LogP2.11
Rot. Bonds5

About 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide

4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide (PubChem CID 108686176) has the molecular formula C18H18N2O6S and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide
PubChem CID108686176
Molecular FormulaC18H18N2O6S
Molecular Weight390.42 g/mol
Exact Mass390.09
IUPAC Name4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide
SMILESCCC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(C)o1
InChIInChI=1S/C18H18N2O6S/c1-3-13(21)15-16(14-9-4-10(2)26-14)20(18(23)17(15)22)11-5-7-12(8-6-11)27(19,24)25/h4-9,16,22H,3H2,1-2H3,(H2,19,24,25)
InChIKeyXAYNIEOPBIETLD-UHFFFAOYSA-N
XLogP2.11
TPSA130.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide 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

4-hydroxy-1-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108658530
4-hydroxy-2-(5-methylfuran-2-yl)-1-(3-methylphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108658269
1-(1,3-benzodioxol-5-yl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-propanoyl-2H-pyrrol-5-one
CID 108609255
ethyl 4-hydroxy-5-oxo-2-phenyl-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54679389
1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108658355
ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(4-sulfamoylphenyl)-2H-pyrrole-3-carboxylate
CID 54676164
4-[(2S)-3-acetyl-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
CID 7478423
4-[(2S)-3-acetyl-2-(4-bromophenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]benzenesulfonamide
CID 40941574
4-[(3Z)-3-[(3-ethoxyphenyl)-hydroxymethylidene]-2-(5-methylfuran-2-yl)-4,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 108686133
3-(2,2-dimethylpropanoyl)-4-hydroxy-2-(5-methylfuran-2-yl)-1-phenyl-2H-pyrrol-5-one
CID 108658876
1-(3,4-difluorophenyl)-4-hydroxy-3-(3-methylbutanoyl)-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658011
3-(1-benzofuran-2-carbonyl)-1-(4-ethylphenyl)-4-hydroxy-2-(5-methylfuran-2-yl)-2H-pyrrol-5-one
CID 108658332

Frequently Asked Questions

What is the IUPAC name of 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide (CID 108686176) is 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide is CCC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(C)o1.
What is the InChIKey of 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide?
The InChIKey is XAYNIEOPBIETLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6S/c1-3-13(21)15-16(14-9-4-10(2)26-14)20(18(23)17(15)22)11-5-7-12(8-6-11)27(19,24)25/h4-9,16,22H,3H2,1-2H3,(H2,19,24,25).
What are the key properties of 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide?
4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide has a molecular weight of 390.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 108686176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).