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

C24H16Cl2N2O3S2 — CID 126245713

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

N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (PubChem CID 126245713) has the molecular formula C24H16Cl2N2O3S2 and a molecular weight of 515.44 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
• PubChem CID: 126245713
• Molecular Formula: C24H16Cl2N2O3S2
• Molecular Weight: 515.44 g/mol
• Exact Mass: 514.00
• IUPAC Name: N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
• SMILES: O=C(CN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl
• InChI: InChI=1S/C24H16Cl2N2O3S2/c25-16-9-11-17(12-10-16)32-20-8-4-1-5-15(20)13-21-23(30)28(24(31)33-21)14-22(29)27-19-7-3-2-6-18(19)26/h1-13H,14H2,(H,27,29)/b21-13-
• InChIKey: NQLVMIHDYUZRHM-BKUYFWCQSA-N
• XLogP: 6.82
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.44
LogP ≤ 5	6.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

The IUPAC name of N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide (CID 126245713) is N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide.

What is the SMILES notation for N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

The canonical SMILES for N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is O=C(CN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O)Nc1ccccc1Cl.

What is the InChIKey of N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

The InChIKey is NQLVMIHDYUZRHM-BKUYFWCQSA-N. The full InChI is InChI=1S/C24H16Cl2N2O3S2/c25-16-9-11-17(12-10-16)32-20-8-4-1-5-15(20)13-21-23(30)28(24(31)33-21)14-22(29)27-19-7-3-2-6-18(19)26/h1-13H,14H2,(H,27,29)/b21-13-.

What are the key properties of N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide?

N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide has a molecular weight of 515.44 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-[(5Z)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide is sourced from PubChem (CID 126245713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).