4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide

C26H26N2O2S — CID 93127278

About 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide

4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127278) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93127278
• Molecular Formula: C26H26N2O2S
• Molecular Weight: 430.57 g/mol
• Exact Mass: 430.17
• IUPAC Name: 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3C(C)C)cc2)cc1
• InChI: InChI=1S/C26H26N2O2S/c1-17(2)22-6-4-5-7-23(22)28-24(29)16-31-26(28)20-12-14-21(15-13-20)27-25(30)19-10-8-18(3)9-11-19/h4-15,17,26H,16H2,1-3H3,(H,27,30)/t26-/m0/s1
• InChIKey: VEOWTEULPWNTJB-SANMLTNESA-N
• XLogP: 6.15
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.57
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

The IUPAC name of 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127278) is 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

What is the SMILES notation for 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

The canonical SMILES for 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccccc3C(C)C)cc2)cc1.

What is the InChIKey of 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

The InChIKey is VEOWTEULPWNTJB-SANMLTNESA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-17(2)22-6-4-5-7-23(22)28-24(29)16-31-26(28)20-12-14-21(15-13-20)27-25(30)19-10-8-18(3)9-11-19/h4-15,17,26H,16H2,1-3H3,(H,27,30)/t26-/m0/s1.

What are the key properties of 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-N-[4-[(2S)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).