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

C25H19NO4S — CID 3318083

IUPAC3-(1-benzofuran-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)c1cc2ccccc2o1
InChIInChI=1S/C25H19NO4S/c27-23(19-15-17-9-4-5-10-18(17)30-19)21-22(20-11-6-14-31-20)26(25(29)24(21)28)13-12-16-7-2-1-3-8-16/h1-11,14-15,22,28H,12-13H2
InChIKeyAWACMYWSLBVEDN-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.32
Rot. Bonds6

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

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 3318083) has the molecular formula C25H19NO4S and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID3318083
Molecular FormulaC25H19NO4S
Molecular Weight429.50 g/mol
Exact Mass429.10
IUPAC Name3-(1-benzofuran-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)c1cc2ccccc2o1
InChIInChI=1S/C25H19NO4S/c27-23(19-15-17-9-4-5-10-18(17)30-19)21-22(20-11-6-14-31-20)26(25(29)24(21)28)13-12-16-7-2-1-3-8-16/h1-11,14-15,22,28H,12-13H2
InChIKeyAWACMYWSLBVEDN-UHFFFAOYSA-N
XLogP5.32
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-propyl-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624291
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-pentyl-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108624378
3-(1-benzofuran-2-carbonyl)-1-[3-(dimethylamino)propyl]-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 3487292
(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(3-morpholin-4-ium-4-ylpropyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 6959629
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-iodophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3319406
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-(4-propan-2-ylphenyl)-2H-pyrrol-5-one
CID 3319401
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-nitrophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3311203
3-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
CID 4735680
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(3-nitrophenyl)-1-(2-phenylethyl)-2H-pyrrol-5-one
CID 3316718
3-(1-benzofuran-2-carbonyl)-1-(5-chloro-2-hydroxyphenyl)-4-hydroxy-2-thiophen-2-yl-2H-pyrrol-5-one
CID 108588137
3-(1-benzofuran-2-carbonyl)-1-[2-(4-fluorophenyl)ethyl]-4-hydroxy-2-pyridin-4-yl-2H-pyrrol-5-one
CID 108594310
3-(1-benzofuran-2-carbonyl)-1-[2-(4-chlorophenyl)ethyl]-2-(furan-2-yl)-4-hydroxy-2H-pyrrol-5-one
CID 108608274

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 3318083) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-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)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is AWACMYWSLBVEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO4S/c27-23(19-15-17-9-4-5-10-18(17)30-19)21-22(20-11-6-14-31-20)26(25(29)24(21)28)13-12-16-7-2-1-3-8-16/h1-11,14-15,22,28H,12-13H2.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 429.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-phenylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 3318083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).