3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one

C21H17NO4S — CID 3152754

IUPAC3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccs1)c1ccco1
InChIInChI=1S/C21H17NO4S/c23-19(15-8-4-12-26-15)17-18(16-9-5-13-27-16)22(21(25)20(17)24)11-10-14-6-2-1-3-7-14/h1-9,12-13,18,24H,10-11H2
InChIKeyXZVHHHDPBRHFSC-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.16
Rot. Bonds6

About 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one

3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 3152754) has the molecular formula C21H17NO4S and a molecular weight of 379.44 g/mol. Its IUPAC name is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID3152754
Molecular FormulaC21H17NO4S
Molecular Weight379.44 g/mol
Exact Mass379.09
IUPAC Name3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccs1)c1ccco1
InChIInChI=1S/C21H17NO4S/c23-19(15-8-4-12-26-15)17-18(16-9-5-13-27-16)22(21(25)20(17)24)11-10-14-6-2-1-3-7-14/h1-9,12-13,18,24H,10-11H2
InChIKeyXZVHHHDPBRHFSC-UHFFFAOYSA-N
XLogP4.16
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.16
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
N-[2-(cyclohexylamino)-2-oxo-1-thiophen-2-ylethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 3191424
Furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2496667
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-(thiophen-2-ylmethyl)propanamide
CID 2957599
N-(furan-2-ylmethyl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 18157867
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 24686991
4-(2-Furylcarbonyl)-3-hydroxy-1-(oxolan-2-ylmethyl)-5-phenyl-3-pyrrolin-2-one
CID 3152540
3-Hydroxy-1-(2-(4-methoxyphenyl)ethyl)-5-(4-methylphenyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3281088
1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 2934757
1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(2-furylcarbonyl)-3-hydroxy-5-(2-thienyl)-3-pyrrolin-2-one
CID 656027
N-[3-(furan-2-yl)-3-(2-methoxyphenyl)propyl]-N-(thiophen-2-ylmethyl)acetamide
CID 662195
4-(benzofuran-2-carbonyl)-3-hydroxy-1-(2-morpholinoethyl)-5-(thiophen-2-yl)-1H-pyrrol-2(5H)-one
CID 664584

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 3152754) is 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCc2ccccc2)C1c1cccs1)c1ccco1.
What is the InChIKey of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is XZVHHHDPBRHFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO4S/c23-19(15-8-4-12-26-15)17-18(16-9-5-13-27-16)22(21(25)20(17)24)11-10-14-6-2-1-3-7-14/h1-9,12-13,18,24H,10-11H2.
What are the key properties of 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 379.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 3152754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).