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

C24H26N2O5S — CID 3740820

IUPAC4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C24H26N2O5S/c1-2-12-31-18-6-3-5-17(16-18)21-20(22(27)19-7-4-15-32-19)23(28)24(29)26(21)9-8-25-10-13-30-14-11-25/h2-7,15-16,21,28H,1,8-14H2
InChIKeyZTFXIBKLBBMKOE-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.22
Rot. Bonds9

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

4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3740820) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3740820
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESC=CCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C24H26N2O5S/c1-2-12-31-18-6-3-5-17(16-18)21-20(22(27)19-7-4-15-32-19)23(28)24(29)26(21)9-8-25-10-13-30-14-11-25/h2-7,15-16,21,28H,1,8-14H2
InChIKeyZTFXIBKLBBMKOE-UHFFFAOYSA-N
XLogP3.22
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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
3-[[(1S,5R)-8-(thiophen-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]benzamide
CID 52948719
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-hydroxy-2-(3-methoxyphenyl)-3-(5-methylfuran-2-carbonyl)-1-(2-morpholin-4-ylethyl)-2H-pyrrol-5-one
CID 2918603
4-(4-Methoxy-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 3649035
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
3-Hydroxy-4-[(7-methoxybenzo[d]furan-2-yl)carbonyl]-1-(2-morpholin-4-ylethyl)-5-(2-thienyl)-3-pyrrolin-2-one
CID 664760
2-(3-Methylphenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 742500
5-(2,3-dimethoxyphenyl)-1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(thiophene-2-carbonyl)-1H-pyrrol-2(5H)-one
CID 2917409
1-[([1,1'-Biphenyl]-4-yloxy)acetyl]-4-(2-thienylcarbonyl)piperazine
CID 3149185

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 3740820) is 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is C=CCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c1.
What is the InChIKey of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is ZTFXIBKLBBMKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-2-12-31-18-6-3-5-17(16-18)21-20(22(27)19-7-4-15-32-19)23(28)24(29)26(21)9-8-25-10-13-30-14-11-25/h2-7,15-16,21,28H,1,8-14H2.
What are the key properties of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 454.55 g/mol, XLogP of 3.22, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-prop-2-enoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3740820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).