2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one

C28H30N2O4S — CID 58365611

IUPAC2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCCN(C)C
InChIInChI=1S/C28H30N2O4S/c1-18(2)26(31)24-25(22-7-5-6-8-23(22)34-15-14-29(3)4)30(28(33)27(24)32)21-11-9-19(10-12-21)20-13-16-35-17-20/h5-13,16-18,25,32H,14-15H2,1-4H3
InChIKeyLPVYMOBFDRUXBK-UHFFFAOYSA-N
MW490.63 g/mol
LogP5.48
Rot. Bonds9

About 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one

2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one (PubChem CID 58365611) has the molecular formula C28H30N2O4S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
PubChem CID58365611
Molecular FormulaC28H30N2O4S
Molecular Weight490.63 g/mol
Exact Mass490.19
IUPAC Name2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one
SMILESCC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCCN(C)C
InChIInChI=1S/C28H30N2O4S/c1-18(2)26(31)24-25(22-7-5-6-8-23(22)34-15-14-29(3)4)30(28(33)27(24)32)21-11-9-19(10-12-21)20-13-16-35-17-20/h5-13,16-18,25,32H,14-15H2,1-4H3
InChIKeyLPVYMOBFDRUXBK-UHFFFAOYSA-N
XLogP5.48
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one?
The IUPAC name of 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one (CID 58365611) is 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one?
The canonical SMILES for 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one is CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1ccccc1OCCN(C)C.
What is the InChIKey of 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one?
The InChIKey is LPVYMOBFDRUXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4S/c1-18(2)26(31)24-25(22-7-5-6-8-23(22)34-15-14-29(3)4)30(28(33)27(24)32)21-11-9-19(10-12-21)20-13-16-35-17-20/h5-13,16-18,25,32H,14-15H2,1-4H3.
What are the key properties of 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one?
2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one has a molecular weight of 490.63 g/mol, XLogP of 5.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dimethylamino)ethoxy]phenyl]-4-hydroxy-3-(2-methylpropanoyl)-1-(4-thiophen-3-ylphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 58365611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).