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

C18H12ClN3O5S — CID 18808529

IUPAC2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H12ClN3O5S/c19-12-6-2-1-5-11(12)9-15-17(24)21(18(25)28-15)10-16(23)20-13-7-3-4-8-14(13)22(26)27/h1-9H,10H2,(H,20,23)/b15-9-
InChIKeySVKAHGPROARKPZ-DHDCSXOGSA-N
MW417.83 g/mol
LogP3.92
Rot. Bonds5

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

2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide (PubChem CID 18808529) has the molecular formula C18H12ClN3O5S and a molecular weight of 417.83 g/mol. Its IUPAC name is 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide
PubChem CID18808529
Molecular FormulaC18H12ClN3O5S
Molecular Weight417.83 g/mol
Exact Mass417.02
IUPAC Name2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C18H12ClN3O5S/c19-12-6-2-1-5-11(12)9-15-17(24)21(18(25)28-15)10-16(23)20-13-7-3-4-8-14(13)22(26)27/h1-9H,10H2,(H,20,23)/b15-9-
InChIKeySVKAHGPROARKPZ-DHDCSXOGSA-N
XLogP3.92
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)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

N-(4-chlorophenyl)-2-[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126167137
2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(3-nitrophenyl)acetamide
CID 18808544
N-(2-chlorophenyl)-2-[(5E)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126260250
N-(2-morpholin-4-ylphenyl)-2-[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126222782
N-(3,4-dimethylphenyl)-2-[(5E)-5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 2288127
N-(3,4-dimethylphenyl)-2-[5-[(2-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 1312857
2-[(5Z)-5-[(2-chloro-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2,3-dimethylphenyl)acetamide
CID 126364648
2-[5-[(2-chlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 3579915
N-(2-chlorophenyl)-2-[(5E)-5-[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126238809
N-(2-chlorophenyl)-2-[(5E)-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126256285
2-[(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-bromophenyl)acetamide
CID 126356304
N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126245713

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide?
The IUPAC name of 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide (CID 18808529) is 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide?
The canonical SMILES for 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide is O=C(CN1C(=O)S/C(=C\c2ccccc2Cl)C1=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide?
The InChIKey is SVKAHGPROARKPZ-DHDCSXOGSA-N. The full InChI is InChI=1S/C18H12ClN3O5S/c19-12-6-2-1-5-11(12)9-15-17(24)21(18(25)28-15)10-16(23)20-13-7-3-4-8-14(13)22(26)27/h1-9H,10H2,(H,20,23)/b15-9-.
What are the key properties of 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide?
2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide has a molecular weight of 417.83 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(2-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(2-nitrophenyl)acetamide is sourced from PubChem (CID 18808529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).