N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

C24H15Cl2FN2O3S2 — CID 126259199

About N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide

N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (PubChem CID 126259199) has the molecular formula C24H15Cl2FN2O3S2 and a molecular weight of 533.43 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.

Molecular Properties

• Compound Name: N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
• PubChem CID: 126259199
• Molecular Formula: C24H15Cl2FN2O3S2
• Molecular Weight: 533.43 g/mol
• Exact Mass: 531.99
• IUPAC Name: N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
• SMILES: O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1cccc(Cl)c1Cl
• InChI: InChI=1S/C24H15Cl2FN2O3S2/c25-18-5-2-6-19(22(18)26)28-21(30)13-32-17-4-1-3-14(11-17)12-20-23(31)29(24(33)34-20)16-9-7-15(27)8-10-16/h1-12H,13H2,(H,28,30)/b20-12-
• InChIKey: FUYXMOAZWSFJMV-NDENLUEZSA-N
• XLogP: 6.56
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.43
LogP ≤ 5	6.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?

The IUPAC name of N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide (CID 126259199) is N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide.

What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?

The canonical SMILES for N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is O=C(COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1)Nc1cccc(Cl)c1Cl.

What is the InChIKey of N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?

The InChIKey is FUYXMOAZWSFJMV-NDENLUEZSA-N. The full InChI is InChI=1S/C24H15Cl2FN2O3S2/c25-18-5-2-6-19(22(18)26)28-21(30)13-32-17-4-1-3-14(11-17)12-20-23(31)29(24(33)34-20)16-9-7-15(27)8-10-16/h1-12H,13H2,(H,28,30)/b20-12-.

What are the key properties of N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide?

N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide has a molecular weight of 533.43 g/mol, XLogP of 6.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dichlorophenyl)-2-[3-[(Z)-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is sourced from PubChem (CID 126259199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).