2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide

C19H13Cl2N3O4S — CID 2151854

IUPAC2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2N3O4S/c20-11-1-5-13(6-2-11)22-16(25)9-15-18(27)24(19(28)29-15)10-17(26)23-14-7-3-12(21)4-8-14/h1-9H,10H2,(H,22,25)(H,23,26)/b15-9-
InChIKeyZUWZSCGLHMYWGP-DHDCSXOGSA-N
MW450.30 g/mol
LogP4.15
Rot. Bonds5

About 2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide

2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide (PubChem CID 2151854) has the molecular formula C19H13Cl2N3O4S and a molecular weight of 450.30 g/mol. Its IUPAC name is 2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
PubChem CID2151854
Molecular FormulaC19H13Cl2N3O4S
Molecular Weight450.30 g/mol
Exact Mass449.00
IUPAC Name2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
SMILESO=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H13Cl2N3O4S/c20-11-1-5-13(6-2-11)22-16(25)9-15-18(27)24(19(28)29-15)10-17(26)23-14-7-3-12(21)4-8-14/h1-9H,10H2,(H,22,25)(H,23,26)/b15-9-
InChIKeyZUWZSCGLHMYWGP-DHDCSXOGSA-N
XLogP4.15
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.30
LogP ≤ 54.15
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'}

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Related Compounds

3-Benzyl-5-(4-chloroanilino)-1,3-thiazolidine-2,4-dione
CID 2910124
2-[5-(4-chlorobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
CID 1308950
N-(4-chlorophenyl)-2-[(5Z)-5-[2-(4-fluoroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 1416712
N-(4-chlorophenyl)-2-{5-[(4-fluorophenyl)methylene]-2,4-dioxo(1,3-thiazolidin-3-yl)}acetamide
CID 1583408
2-(5-((4-Chlorophenyl)amino)-2,4-dioxothiazolidin-3-yl)acetic acid
CID 4891684
2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 16631912
2-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide
CID 16631984
2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 18808412
2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 49897232
N-(4-chloro-2-fluorophenyl)-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 7597950
3-chloro-1-(4-chlorophenyl)-4-(cyclohexylamino)-1H-pyrrole-2,5-dione
CID 728024
1-(4-chlorophenyl)-3-((4-chlorophenyl)amino)-1H-pyrrole-2,5-dione
CID 949524

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide (CID 2151854) is 2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide is O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide?
The InChIKey is ZUWZSCGLHMYWGP-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H13Cl2N3O4S/c20-11-1-5-13(6-2-11)22-16(25)9-15-18(27)24(19(28)29-15)10-17(26)23-14-7-3-12(21)4-8-14/h1-9H,10H2,(H,22,25)(H,23,26)/b15-9-.
What are the key properties of 2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide?
2-[(5Z)-5-[2-(4-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide has a molecular weight of 450.30 g/mol, XLogP of 4.15, 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-chloroanilino)-2-oxoethylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2151854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).