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

C23H22N2O5S — CID 664584

IUPAC3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C23H22N2O5S/c26-21(17-14-15-4-1-2-5-16(15)30-17)19-20(18-6-3-13-31-18)25(23(28)22(19)27)8-7-24-9-11-29-12-10-24/h1-6,13-14,20,27H,7-12H2
InChIKeyCGARAMBSXQSBIU-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.40
Rot. Bonds6

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

3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one (PubChem CID 664584) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
PubChem CID664584
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one
SMILESO=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccs1)c1cc2ccccc2o1
InChIInChI=1S/C23H22N2O5S/c26-21(17-14-15-4-1-2-5-16(15)30-17)19-20(18-6-3-13-31-18)25(23(28)22(19)27)8-7-24-9-11-29-12-10-24/h1-6,13-14,20,27H,7-12H2
InChIKeyCGARAMBSXQSBIU-UHFFFAOYSA-N
XLogP3.40
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-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

N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 662750
N-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 67511180
3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(2-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 662154
2-[3-(Morpholin-4-yl)propyl]-1-(thiophen-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664604
3-Hydroxy-4-[(7-methoxybenzo[d]furan-2-yl)carbonyl]-1-(2-morpholin-4-ylethyl)-5-(2-thienyl)-3-pyrrolin-2-one
CID 664760
1-Benzofuran-2-yl-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone
CID 2550616
2-{[4-(2-furoyl)piperazin-1-yl]carbonyl}-4H-thieno[3,2-c]chromen-4-one
CID 3239573
4-(1-benzofuran-2-carbonyl)-5-(3-fluorophenyl)-3-hydroxy-1-[2-(morpholin-4-yl)ethyl]-2,5-dihydro-1H-pyrrol-2-one
CID 4342649
N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 6603526
N-(1,1-dioxidotetrahydrothiophen-3-yl)-3-methyl-N-[(3-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 16013035
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

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The IUPAC name of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one (CID 664584) is 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one.
What is the SMILES notation for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The canonical SMILES for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccs1)c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
The InChIKey is CGARAMBSXQSBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c26-21(17-14-15-4-1-2-5-16(15)30-17)19-20(18-6-3-13-31-18)25(23(28)22(19)27)8-7-24-9-11-29-12-10-24/h1-6,13-14,20,27H,7-12H2.
What are the key properties of 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one?
3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one has a molecular weight of 438.51 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-carbonyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-thiophen-2-yl-2H-pyrrol-5-one is sourced from PubChem (CID 664584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).