N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

C24H22FN3O3S2 — CID 28701760

About N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 28701760) has the molecular formula C24H22FN3O3S2 and a molecular weight of 483.59 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 28701760
• Molecular Formula: C24H22FN3O3S2
• Molecular Weight: 483.59 g/mol
• Exact Mass: 483.11
• IUPAC Name: N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
• SMILES: CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1
• InChI: InChI=1S/C24H22FN3O3S2/c1-2-31-19-11-9-17(10-12-19)26-22(29)14-21-23(30)28(15-20-4-3-13-32-20)24(33-21)27-18-7-5-16(25)6-8-18/h3-13,21H,2,14-15H2,1H3,(H,26,29)/b27-24-/t21-/m1/s1
• InChIKey: ISWVQCDTFBLJBD-LQUAGZSJSA-N
• XLogP: 5.45
• TPSA: 71.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.59
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (CID 28701760) is N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is CCOc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc(F)cc3)N(Cc3cccs3)C2=O)cc1.

What is the InChIKey of N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is ISWVQCDTFBLJBD-LQUAGZSJSA-N. The full InChI is InChI=1S/C24H22FN3O3S2/c1-2-31-19-11-9-17(10-12-19)26-22(29)14-21-23(30)28(15-20-4-3-13-32-20)24(33-21)27-18-7-5-16(25)6-8-18/h3-13,21H,2,14-15H2,1H3,(H,26,29)/b27-24-/t21-/m1/s1.

What are the key properties of N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide?

N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 483.59 g/mol, XLogP of 5.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-ethoxyphenyl)-2-[(5R)-2-(4-fluorophenyl)imino-4-oxo-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 28701760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).