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

C26H26N2O2S — CID 46075872

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

2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 46075872) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 46075872
• Molecular Formula: C26H26N2O2S
• Molecular Weight: 430.57 g/mol
• Exact Mass: 430.17
• IUPAC Name: 2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: CCCc1ccccc1N1C(=O)CSC1c1ccc(NC(=O)c2ccccc2C)cc1
• InChI: InChI=1S/C26H26N2O2S/c1-3-8-19-10-5-7-12-23(19)28-24(29)17-31-26(28)20-13-15-21(16-14-20)27-25(30)22-11-6-4-9-18(22)2/h4-7,9-16,26H,3,8,17H2,1-2H3,(H,27,30)
• InChIKey: NTIKVYIFGNKUKO-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.57
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 46075872) is 2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCc1ccccc1N1C(=O)CSC1c1ccc(NC(=O)c2ccccc2C)cc1.

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

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

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

2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 430.57 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[4-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 46075872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).