3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C24H21BrN2O2S — CID 42806145

About 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 42806145) has the molecular formula C24H21BrN2O2S and a molecular weight of 481.42 g/mol. Its IUPAC name is 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 42806145
• Molecular Formula: C24H21BrN2O2S
• Molecular Weight: 481.42 g/mol
• Exact Mass: 480.05
• IUPAC Name: 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: CCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)c2cccc(Br)c2)c1
• InChI: InChI=1S/C24H21BrN2O2S/c1-2-16-7-3-4-12-21(16)27-22(28)15-30-24(27)18-9-6-11-20(14-18)26-23(29)17-8-5-10-19(25)13-17/h3-14,24H,2,15H2,1H3,(H,26,29)
• InChIKey: SJRZQUSFSXRNIU-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.42
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The IUPAC name of 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 42806145) is 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

What is the SMILES notation for 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The canonical SMILES for 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is CCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)c2cccc(Br)c2)c1.

What is the InChIKey of 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The InChIKey is SJRZQUSFSXRNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O2S/c1-2-16-7-3-4-12-21(16)27-22(28)15-30-24(27)18-9-6-11-20(14-18)26-23(29)17-8-5-10-19(25)13-17/h3-14,24H,2,15H2,1H3,(H,26,29).

What are the key properties of 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 481.42 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[3-[3-(2-ethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 42806145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).