2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide

C18H16N2O3S — CID 3109982

IUPAC2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-12-7-9-13(10-8-12)19-16(21)11-15-17(22)20(18(23)24-15)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,19,21)
InChIKeyDXNXFDOTFNJPOQ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.59
Rot. Bonds4

About 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide

2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (PubChem CID 3109982) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
PubChem CID3109982
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CC2SC(=O)N(c3ccccc3)C2=O)cc1
InChIInChI=1S/C18H16N2O3S/c1-12-7-9-13(10-8-12)19-16(21)11-15-17(22)20(18(23)24-15)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,19,21)
InChIKeyDXNXFDOTFNJPOQ-UHFFFAOYSA-N
XLogP3.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_D(3)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide 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-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide (CID 3109982) is 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CC2SC(=O)N(c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
The InChIKey is DXNXFDOTFNJPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-12-7-9-13(10-8-12)19-16(21)11-15-17(22)20(18(23)24-15)14-5-3-2-4-6-14/h2-10,15H,11H2,1H3,(H,19,21).
What are the key properties of 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide?
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide has a molecular weight of 340.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3109982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).