2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

C21H16FNO4S — CID 58286107

IUPAC2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)C2c2ccc(F)cc2)o1
InChIInChI=1S/C21H16FNO4S/c1-12-4-9-16(27-12)19(24)17-18(13-5-7-14(22)8-6-13)23(21(26)20(17)25)11-15-3-2-10-28-15/h2-10,18,25H,11H2,1H3
InChIKeyHULNWAKQFMKNQS-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.57
Rot. Bonds5

About 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one

2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 58286107) has the molecular formula C21H16FNO4S and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID58286107
Molecular FormulaC21H16FNO4S
Molecular Weight397.43 g/mol
Exact Mass397.08
IUPAC Name2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
SMILESCc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)C2c2ccc(F)cc2)o1
InChIInChI=1S/C21H16FNO4S/c1-12-4-9-16(27-12)19(24)17-18(13-5-7-14(22)8-6-13)23(21(26)20(17)25)11-15-3-2-10-28-15/h2-10,18,25H,11H2,1H3
InChIKeyHULNWAKQFMKNQS-UHFFFAOYSA-N
XLogP4.57
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 58286107) is 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is Cc1ccc(C(=O)C2=C(O)C(=O)N(Cc3cccs3)C2c2ccc(F)cc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is HULNWAKQFMKNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO4S/c1-12-4-9-16(27-12)19(24)17-18(13-5-7-14(22)8-6-13)23(21(26)20(17)25)11-15-3-2-10-28-15/h2-10,18,25H,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 397.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58286107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).