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

C21H16FNO4S — CID 58285894

IUPAC2-(2-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)C2c2ccccc2F)o1
InChIInChI=1S/C21H16FNO4S/c1-12-8-9-16(27-12)19(24)17-18(14-6-2-3-7-15(14)22)23(21(26)20(17)25)11-13-5-4-10-28-13/h2-10,18,25H,11H2,1H3
InChIKeyJJGCWCOKIUMGIW-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.57
Rot. Bonds5

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

2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 58285894) has the molecular formula C21H16FNO4S and a molecular weight of 397.43 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID58285894
Molecular FormulaC21H16FNO4S
Molecular Weight397.43 g/mol
Exact Mass397.08
IUPAC Name2-(2-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)C2c2ccccc2F)o1
InChIInChI=1S/C21H16FNO4S/c1-12-8-9-16(27-12)19(24)17-18(14-6-2-3-7-15(14)22)23(21(26)20(17)25)11-13-5-4-10-28-13/h2-10,18,25H,11H2,1H3
InChIKeyJJGCWCOKIUMGIW-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

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Related Compounds

1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
1-benzyl-3-[5-[(4-fluorophenyl)methyl]furan-2-carbonyl]-4-hydroxy-2H-pyrrol-5-one
CID 22937787
N-ethyl-5-(4-fluorophenyl)-N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]furan-2-carboxamide
CID 9119946
3-Hydroxy-1-(2-(4-methoxyphenyl)ethyl)-5-(4-methylphenyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3281088
1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(2-furylcarbonyl)-3-hydroxy-5-(2-thienyl)-3-pyrrolin-2-one
CID 656027
4-(benzofuran-2-carbonyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
CID 664584
1-[3-(diethylamino)propyl]-3-hydroxy-4-(5-methylfuran-2-carbonyl)-5-(thiophen-2-yl)-2,5-dihydro-1H-pyrrol-2-one
CID 2926472
5-(2-Fluorophenyl)-3-hydroxy-4-(5-methylfuran-2-carbonyl)-1-((tetrahydrofuran-2-yl)methyl)-1H-pyrrol-2(5H)-one
CID 2937580
4-(furan-2-ylcarbonyl)-3-hydroxy-1-(2-phenylethyl)-5-(thiophen-2-yl)-1,5-dihydro-2H-pyrrol-2-one
CID 3152754
3-Hydroxy-1-(2-morpholin-4-ylethyl)-5-(3-propoxyphenyl)-4-(2-thienylcarbonyl)-3-pyrrolin-2-one
CID 3725731
3-Hydroxy-1-(2-morpholin-4-ylethyl)-5-(3-prop-2-enyloxyphenyl)-4-(2-thienylcar bonyl)-3-pyrrolin-2-one
CID 3740820
N-[3-(furan-2-yl)-3-phenylpropyl]-N-(thiophen-2-ylmethyl)acetamide
CID 3747284

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one (CID 58285894) is 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2-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)C2c2ccccc2F)o1.
What is the InChIKey of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is JJGCWCOKIUMGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO4S/c1-12-8-9-16(27-12)19(24)17-18(14-6-2-3-7-15(14)22)23(21(26)20(17)25)11-13-5-4-10-28-13/h2-10,18,25H,11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one?
2-(2-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-(2-fluorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(thiophen-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58285894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).