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

C23H26N2O6S — CID 2909837

IUPAC2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C23H26N2O6S/c1-29-16-6-5-15(14-17(16)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,20,27H,7-12H2,1-2H3
InChIKeyFRYAEAQDWQKJLU-UHFFFAOYSA-N
MW458.54 g/mol
LogP2.68
Rot. Bonds8

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

2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2909837) has the molecular formula C23H26N2O6S and a molecular weight of 458.54 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2909837
Molecular FormulaC23H26N2O6S
Molecular Weight458.54 g/mol
Exact Mass458.15
IUPAC Name2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC
InChIInChI=1S/C23H26N2O6S/c1-29-16-6-5-15(14-17(16)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,20,27H,7-12H2,1-2H3
InChIKeyFRYAEAQDWQKJLU-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-aminoethyl)-N-[[3-methoxy-4-(phenylmethoxy)phenyl]methyl]thiophene-2-carboxamide
CID 11675630
Methyl 3-(3,4-dimethoxyphenyl)-3-[(2-thienylcarbonyl)amino]propanoate
CID 3382837
5-(3,4-Diethoxyphenyl)-3-hydroxy-4-[(5-methyl(2-furyl))carbonyl]-1-(2-morpholi n-4-ylethyl)-3-pyrrolin-2-one
CID 662129
5-(2,5-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 662146
3-hydroxy-5-(3-methoxy-4-propoxyphenyl)-4-(5-methyl-2-furoyl)-1-[2-(4-morpholinyl)ethyl]-1,5-dihydro-2H-pyrrol-2-one
CID 662182
3-Hydroxy-4-[(7-methoxybenzo[d]furan-2-yl)carbonyl]-1-(2-morpholin-4-ylethyl)-5-(2-thienyl)-3-pyrrolin-2-one
CID 664760
Thiophene-2-carboxylic acid [(Z)-2-(3,4-dimethoxy-phenyl)-1-(morpholine-4-carbonyl)-vinyl]-amide
CID 1608711
6,7-Dimethoxy-1-methyl-2-(2-thienylcarbonyl)-1,2,3,4-tetrahydroisoquinoline
CID 2812727
5-(2,3-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2917409
1-(Furan-2-ylmethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one
CID 2934026
3-(3,4-Dimethoxyphenyl)-2,3-dimorpholino-1-(thiophen-2-yl)propan-1-one
CID 3237569
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2909837) is 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is COc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is FRYAEAQDWQKJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6S/c1-29-16-6-5-15(14-17(16)30-2)20-19(21(26)18-4-3-13-32-18)22(27)23(28)25(20)8-7-24-9-11-31-12-10-24/h3-6,13-14,20,27H,7-12H2,1-2H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(3,4-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-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2909837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).