2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C21H16F3N3O4S — CID 1388288

IUPAC2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C21H16F3N3O4S/c1-12-6-8-13(9-7-12)25-17(28)10-16-19(30)27(20(31)32-16)11-18(29)26-15-5-3-2-4-14(15)21(22,23)24/h2-10H,11H2,1H3,(H,25,28)(H,26,29)/b16-10-
InChIKeyVWGPFNCBMADARF-YBEGLDIGSA-N
MW463.44 g/mol
LogP4.17
Rot. Bonds5

About 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1388288) has the molecular formula C21H16F3N3O4S and a molecular weight of 463.44 g/mol. Its IUPAC name is 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1388288
Molecular FormulaC21H16F3N3O4S
Molecular Weight463.44 g/mol
Exact Mass463.08
IUPAC Name2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C21H16F3N3O4S/c1-12-6-8-13(9-7-12)25-17(28)10-16-19(30)27(20(31)32-16)11-18(29)26-15-5-3-2-4-14(15)21(22,23)24/h2-10H,11H2,1H3,(H,25,28)(H,26,29)/b16-10-
InChIKeyVWGPFNCBMADARF-YBEGLDIGSA-N
XLogP4.17
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-methylphenyl)acetamide
CID 1416690
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 16631973
2-[[2-[(5Z)-5-[(4-methylphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
CID 27425088
2-[(5Z)-5-[(2-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16629136
2-[2,4-dioxo-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 1232118
2-[(5Z)-5-[(4-acetamidophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-bromophenyl)acetamide
CID 126350347
2-[(5Z)-5-[(3-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-methylphenyl)acetamide
CID 6975044
2-(pentylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109005975
N-(4-methylphenyl)-2-[(5E)-5-[(1-methylpyrrol-3-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 50853645
2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-methylphenyl)acetamide
CID 16627045
N-(3,4-dimethylphenyl)-2-[(5E)-2,4-dioxo-5-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-3-yl]acetamide
CID 126201555
2-[(5E)-2,4-dioxo-5-[[5-[2-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazolidin-3-yl]-N-(4-iodophenyl)acetamide
CID 126348180

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1388288) is 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1ccc(NC(=O)/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C(F)(F)F)C2=O)cc1.
What is the InChIKey of 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VWGPFNCBMADARF-YBEGLDIGSA-N. The full InChI is InChI=1S/C21H16F3N3O4S/c1-12-6-8-13(9-7-12)25-17(28)10-16-19(30)27(20(31)32-16)11-18(29)26-15-5-3-2-4-14(15)21(22,23)24/h2-10H,11H2,1H3,(H,25,28)(H,26,29)/b16-10-.
What are the key properties of 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 463.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[2-(4-methylanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1388288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).