2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C23H26N2O6S — CID 2917500

IUPAC2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c1OC
InChIInChI=1S/C23H26N2O6S/c1-29-16-6-3-5-15(22(16)30-2)19-18(20(26)17-7-4-14-32-17)21(27)23(28)25(19)9-8-24-10-12-31-13-11-24/h3-7,14,19,27H,8-13H2,1-2H3
InChIKeyRQKZPANBRYNUEY-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.68
Rot. Bonds8

About 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2917500) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2917500
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Name2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c1OC
InChIInChI=1S/C23H26N2O6S/c1-29-16-6-3-5-15(22(16)30-2)19-18(20(26)17-7-4-14-32-17)21(27)23(28)25(19)9-8-24-10-12-31-13-11-24/h3-7,14,19,27H,8-13H2,1-2H3
InChIKeyRQKZPANBRYNUEY-UHFFFAOYSA-N
XLogP2.68
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-3-phenylthiophene-2-carboxamide
CID 18111967
5-(2,5-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 662146
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-(2,3-Dimethoxybenzoyl)-4-(2-thienylcarbonyl)piperazine
CID 1148081
5-(2,3-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2917409
3-(3,4-Dimethoxyphenyl)-2,3-dimorpholino-1-(thiophen-2-yl)propan-1-one
CID 3237569
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-2,3-dimethoxybenzamide
CID 3238662
5-(2,4-Dimethoxyphenyl)-3-hydroxy-1-[2-(morpholin-4-YL)ethyl]-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
CID 15996528
N-[(2,3-dimethoxyphenyl)methyl]-4-(2,5-dimethylthiophen-3-yl)-N-methyl-4-oxobutanamide
CID 24982443
3-hydroxy-5-[4-(isopentyloxy)-3-methoxyphenyl]-1-[2-(4-morpholinyl)ethyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 3378869
3-Ethoxy-4-[2-oxo-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethoxy]benzonitrile
CID 9116270
1-[2-(3,4-Dimethoxyphenyl)ethyl]-4-(2-furylcarbonyl)-3-hydroxy-5-(2-thienyl)-3-pyrrolin-2-one
CID 656027

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2917500) is 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is RQKZPANBRYNUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-29-16-6-3-5-15(22(16)30-2)19-18(20(26)17-7-4-14-32-17)21(27)23(28)25(19)9-8-24-10-12-31-13-11-24/h3-7,14,19,27H,8-13H2,1-2H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 458.54 g/mol, XLogP of 2.68, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2917500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).