2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C25H23NO5S — CID 108693729

IUPAC2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccc2OC)c1
InChIInChI=1S/C25H23NO5S/c1-3-31-18-10-6-9-16(14-18)22-21(23(27)20-12-7-13-32-20)24(28)25(29)26(22)15-17-8-4-5-11-19(17)30-2/h4-14,22,28H,3,15H2,1-2H3
InChIKeyAJKHANGOHYMLRC-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.93
Rot. Bonds8

About 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108693729) has the molecular formula C25H23NO5S and a molecular weight of 449.53 g/mol. Its IUPAC name is 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID108693729
Molecular FormulaC25H23NO5S
Molecular Weight449.53 g/mol
Exact Mass449.13
IUPAC Name2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccc2OC)c1
InChIInChI=1S/C25H23NO5S/c1-3-31-18-10-6-9-16(14-18)22-21(23(27)20-12-7-13-32-20)24(28)25(29)26(22)15-17-8-4-5-11-19(17)30-2/h4-14,22,28H,3,15H2,1-2H3
InChIKeyAJKHANGOHYMLRC-UHFFFAOYSA-N
XLogP4.93
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-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

Related Compounds

(2R)-1-[3-(dimethylamino)propyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 6549550
(2R)-1-[2-(dimethylamino)ethyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1084878
(2S)-1-[2-(diethylamino)ethyl]-2-(3-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 6553032
1-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108699734
2-(3,4-dimethoxyphenyl)-1-(3-ethoxyphenyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108700482
1-benzyl-4-hydroxy-2-(3-phenylmethoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3368444
(2R)-2-(3-ethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 1084880
1-[(4-ethoxyphenyl)methyl]-4-hydroxy-2-(4-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108689246
1-butyl-4-hydroxy-2-(3-methoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 44857938
4-hydroxy-1-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 108585066
2-(3-butoxyphenyl)-4-hydroxy-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 3263633
2-(4-ethoxy-3-methoxyphenyl)-1-(furan-2-ylmethyl)-4-hydroxy-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
CID 4633249

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108693729) is 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2Cc2ccccc2OC)c1.
What is the InChIKey of 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is AJKHANGOHYMLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO5S/c1-3-31-18-10-6-9-16(14-18)22-21(23(27)20-12-7-13-32-20)24(28)25(29)26(22)15-17-8-4-5-11-19(17)30-2/h4-14,22,28H,3,15H2,1-2H3.
What are the key properties of 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 449.53 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxyphenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108693729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).