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

C25H30N2O5S — CID 2935276

IUPAC2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCCCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C25H30N2O5S/c1-2-3-14-32-19-8-6-18(7-9-19)22-21(23(28)20-5-4-17-33-20)24(29)25(30)27(22)11-10-26-12-15-31-16-13-26/h4-9,17,22,29H,2-3,10-16H2,1H3
InChIKeyCYVBSXPXQYJBIN-UHFFFAOYSA-N
MW470.59 g/mol
LogP3.84
Rot. Bonds10

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

2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2935276) has the molecular formula C25H30N2O5S and a molecular weight of 470.59 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2935276
Molecular FormulaC25H30N2O5S
Molecular Weight470.59 g/mol
Exact Mass470.19
IUPAC Name2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCCCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc1
InChIInChI=1S/C25H30N2O5S/c1-2-3-14-32-19-8-6-18(7-9-19)22-21(23(28)20-5-4-17-33-20)24(29)25(30)27(22)11-10-26-12-15-31-16-13-26/h4-9,17,22,29H,2-3,10-16H2,1H3
InChIKeyCYVBSXPXQYJBIN-UHFFFAOYSA-N
XLogP3.84
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-Furylmethyl)-3-HO-5-PH-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2934282
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24818172
3-hydroxy-5-(5-methyl-2-furyl)-1-[2-(4-morpholinyl)ethyl]-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2909894
4-(furan-2-carbonyl)-3-hydroxy-5-(4-methoxyphenyl)-1-(2-morpholinoethyl)-1H-pyrrol-2(5H)-one
CID 2910339
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
7-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-5-propan-2-ylthieno[2,3-d]pyridazin-4-one
CID 56668921
1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 68227454
5-(2,5-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 662146
2-[3-(Morpholin-4-yl)propyl]-1-(thiophen-2-yl)-1,2-dihydrochromeno[2,3-c]pyrrole-3,9-dione
CID 664604
2-(3-Methylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 742500
Furan-2-yl-[4-(3-phenylthiophene-2-carbonyl)piperazin-1-yl]methanone
CID 2496667
1-[2-(diethylamino)ethyl]-3-hydroxy-5-(5-methyl-2-furyl)-4-(2-thienylcarbonyl)-1,5-dihydro-2H-pyrrol-2-one
CID 2926212

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2935276) is 2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CCCCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is CYVBSXPXQYJBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5S/c1-2-3-14-32-19-8-6-18(7-9-19)22-21(23(28)20-5-4-17-33-20)24(29)25(30)27(22)11-10-26-12-15-31-16-13-26/h4-9,17,22,29H,2-3,10-16H2,1H3.
What are the key properties of 2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 470.59 g/mol, XLogP of 3.84, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2935276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).