4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione

C25H24N2O3S — CID 91808289

IUPAC4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione
SMILESCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-15-19(6-5-12-26-15)21-20(23(29)25(2,3)4)22(28)24(30)27(21)18-9-7-16(8-10-18)17-11-13-31-14-17/h5-14,20-21H,1-4H3
InChIKeyFALNGXSBXNZBAC-UHFFFAOYSA-N
MW432.55 g/mol
LogP5.01
Rot. Bonds4

About 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione

4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione (PubChem CID 91808289) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione
PubChem CID91808289
Molecular FormulaC25H24N2O3S
Molecular Weight432.55 g/mol
Exact Mass432.15
IUPAC Name4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione
SMILESCc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1
InChIInChI=1S/C25H24N2O3S/c1-15-19(6-5-12-26-15)21-20(23(29)25(2,3)4)22(28)24(30)27(21)18-9-7-16(8-10-18)17-11-13-31-14-17/h5-14,20-21H,1-4H3
InChIKeyFALNGXSBXNZBAC-UHFFFAOYSA-N
XLogP5.01
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.55
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione 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 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione (CID 91808289) is 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione is Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccsc2)cc1.
What is the InChIKey of 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione?
The InChIKey is FALNGXSBXNZBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-15-19(6-5-12-26-15)21-20(23(29)25(2,3)4)22(28)24(30)27(21)18-9-7-16(8-10-18)17-11-13-31-14-17/h5-14,20-21H,1-4H3.
What are the key properties of 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione?
4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione has a molecular weight of 432.55 g/mol, XLogP of 5.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropanoyl)-5-(2-methyl-3-pyridinyl)-1-(4-thiophen-3-ylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 91808289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).