N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

C32H27F3N4O4S — CID 18836507

About N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide

N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (PubChem CID 18836507) has the molecular formula C32H27F3N4O4S and a molecular weight of 620.65 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 18836507
• Molecular Formula: C32H27F3N4O4S
• Molecular Weight: 620.65 g/mol
• Exact Mass: 620.17
• IUPAC Name: N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide
• SMILES: COc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)N(CCc3ccccc3)C2=O)cc1
• InChI: InChI=1S/C32H27F3N4O4S/c1-42-25-12-10-24(11-13-25)37-29(40)19-28-30(41)39(17-16-21-6-3-2-4-7-21)31(44-28)38-36-20-26-14-15-27(43-26)22-8-5-9-23(18-22)32(33,34)35/h2-15,18,20,28H,16-17,19H2,1H3,(H,37,40)/b36-20+,38-31-
• InChIKey: WYNWCKDLALKFAG-WBJQZLOBSA-N
• XLogP: 6.88
• TPSA: 96.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.65
LogP ≤ 5	6.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide (CID 18836507) is N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is COc1ccc(NC(=O)CC2S/C(=N\N=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)N(CCc3ccccc3)C2=O)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is WYNWCKDLALKFAG-WBJQZLOBSA-N. The full InChI is InChI=1S/C32H27F3N4O4S/c1-42-25-12-10-24(11-13-25)37-29(40)19-28-30(41)39(17-16-21-6-3-2-4-7-21)31(44-28)38-36-20-26-14-15-27(43-26)22-8-5-9-23(18-22)32(33,34)35/h2-15,18,20,28H,16-17,19H2,1H3,(H,37,40)/b36-20+,38-31-.

What are the key properties of N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide?

N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 620.65 g/mol, XLogP of 6.88, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-2-[(2Z)-4-oxo-3-(2-phenylethyl)-2-[(E)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidenehydrazinylidene]-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 18836507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).