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

C26H26N2O2S — CID 93127283

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

2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93127283) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93127283
• Molecular Formula: C26H26N2O2S
• Molecular Weight: 430.57 g/mol
• Exact Mass: 430.17
• IUPAC Name: 2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: Cc1ccccc1C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1
• InChI: InChI=1S/C26H26N2O2S/c1-17(2)21-9-6-7-11-23(21)28-24(29)16-31-26(28)19-12-14-20(15-13-19)27-25(30)22-10-5-4-8-18(22)3/h4-15,17,26H,16H2,1-3H3,(H,27,30)/t26-/m1/s1
• InChIKey: UEDXZUSLDSCTMM-AREMUKBSSA-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 2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

The IUPAC name of 2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93127283) is 2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is Cc1ccccc1C(=O)Nc1ccc([C@H]2SCC(=O)N2c2ccccc2C(C)C)cc1.

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

The InChIKey is UEDXZUSLDSCTMM-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-17(2)21-9-6-7-11-23(21)28-24(29)16-31-26(28)19-12-14-20(15-13-19)27-25(30)22-10-5-4-8-18(22)3/h4-15,17,26H,16H2,1-3H3,(H,27,30)/t26-/m1/s1.

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

2-methyl-N-[4-[(2R)-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 2-methyl-N-[4-[(2R)-4-oxo-3-(2-propan-2-ylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93127283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).