1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C21H24N2O3S — CID 2907878

IUPAC1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-7-9-15(10-8-14)18-17(19(24)16-6-4-13-27-16)20(25)21(26)23(18)12-5-11-22(2)3/h4,6-10,13,18,25H,5,11-12H2,1-3H3
InChIKeyZHBVCQGHXASITQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.59
Rot. Bonds7

About 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 2907878) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
PubChem CID2907878
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
SMILESCc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1
InChIInChI=1S/C21H24N2O3S/c1-14-7-9-15(10-8-14)18-17(19(24)16-6-4-13-27-16)20(25)21(26)23(18)12-5-11-22(2)3/h4,6-10,13,18,25H,5,11-12H2,1-3H3
InChIKeyZHBVCQGHXASITQ-UHFFFAOYSA-N
XLogP3.59
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-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 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The IUPAC name of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 2907878) is 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is Cc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
The InChIKey is ZHBVCQGHXASITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-14-7-9-15(10-8-14)18-17(19(24)16-6-4-13-27-16)20(25)21(26)23(18)12-5-11-22(2)3/h4,6-10,13,18,25H,5,11-12H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?
1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 384.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(4-methylphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 2907878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).