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

C24H28N2O7S — CID 2918945

IUPAC4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O7S/c1-30-16-13-15(14-17(31-2)23(16)32-3)20-19(21(27)18-5-4-12-34-18)22(28)24(29)26(20)7-6-25-8-10-33-11-9-25/h4-5,12-14,20,28H,6-11H2,1-3H3
InChIKeyPIFVZHWQLZPTMU-UHFFFAOYSA-N
MW488.56 g/mol
LogP2.68
Rot. Bonds9

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

4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one (PubChem CID 2918945) has the molecular formula C24H28N2O7S and a molecular weight of 488.56 g/mol. Its IUPAC name is 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
PubChem CID2918945
Molecular FormulaC24H28N2O7S
Molecular Weight488.56 g/mol
Exact Mass488.16
IUPAC Name4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC
InChIInChI=1S/C24H28N2O7S/c1-30-16-13-15(14-17(31-2)23(16)32-3)20-19(21(27)18-5-4-12-34-18)22(28)24(29)26(20)7-6-25-8-10-33-11-9-25/h4-5,12-14,20,28H,6-11H2,1-3H3
InChIKeyPIFVZHWQLZPTMU-UHFFFAOYSA-N
XLogP2.68
TPSA97.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one (CID 2918945) is 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one is COc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC.
What is the InChIKey of 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is PIFVZHWQLZPTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O7S/c1-30-16-13-15(14-17(31-2)23(16)32-3)20-19(21(27)18-5-4-12-34-18)22(28)24(29)26(20)7-6-25-8-10-33-11-9-25/h4-5,12-14,20,28H,6-11H2,1-3H3.
What are the key properties of 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 488.56 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-morpholin-4-ylethyl)-3-(thiophene-2-carbonyl)-2-(3,4,5-trimethoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2918945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).