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

C24H28N2O5S — CID 3725731

IUPAC4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C24H28N2O5S/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/h3-7,15-16,21,28H,2,8-14H2,1H3
InChIKeyVZHNYQHBKDZCRT-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.45
Rot. Bonds9

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

4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 3725731) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID3725731
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC Name4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCCCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c1
InChIInChI=1S/C24H28N2O5S/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/h3-7,15-16,21,28H,2,8-14H2,1H3
InChIKeyVZHNYQHBKDZCRT-UHFFFAOYSA-N
XLogP3.45
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 3725731) is 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CCCOc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c1.
What is the InChIKey of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is VZHNYQHBKDZCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/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/h3-7,15-16,21,28H,2,8-14H2,1H3.
What are the key properties of 4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
4-hydroxy-1-(2-morpholin-4-ylethyl)-2-(3-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 456.56 g/mol, XLogP of 3.45, 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-propoxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 3725731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).