2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide

C20H20N4O4S2 — CID 4179687

IUPAC2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20N4O4S2/c1-2-12-24-19(26)17(13-18(25)22-14-6-4-3-5-7-14)29-20(24)23-15-8-10-16(11-9-15)30(21,27)28/h2-11,17H,1,12-13H2,(H,22,25)(H2,21,27,28)/b23-20-
InChIKeyLGYLWMTVHRSFIN-ATJXCDBQSA-N
MW444.54 g/mol
LogP2.48
Rot. Bonds7

About 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide

2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide (PubChem CID 4179687) has the molecular formula C20H20N4O4S2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
PubChem CID4179687
Molecular FormulaC20H20N4O4S2
Molecular Weight444.54 g/mol
Exact Mass444.09
IUPAC Name2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide
SMILESC=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C20H20N4O4S2/c1-2-12-24-19(26)17(13-18(25)22-14-6-4-3-5-7-14)29-20(24)23-15-8-10-16(11-9-15)30(21,27)28/h2-11,17H,1,12-13H2,(H,22,25)(H2,21,27,28)/b23-20-
InChIKeyLGYLWMTVHRSFIN-ATJXCDBQSA-N
XLogP2.48
TPSA121.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide 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-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide (CID 4179687) is 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide is C=CCN1C(=O)C(CC(=O)Nc2ccccc2)S/C1=N\c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
The InChIKey is LGYLWMTVHRSFIN-ATJXCDBQSA-N. The full InChI is InChI=1S/C20H20N4O4S2/c1-2-12-24-19(26)17(13-18(25)22-14-6-4-3-5-7-14)29-20(24)23-15-8-10-16(11-9-15)30(21,27)28/h2-11,17H,1,12-13H2,(H,22,25)(H2,21,27,28)/b23-20-.
What are the key properties of 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide?
2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide has a molecular weight of 444.54 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-3-prop-2-enyl-2-(4-sulfamoylphenyl)imino-1,3-thiazolidin-5-yl]-N-phenylacetamide is sourced from PubChem (CID 4179687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).