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

C26H26N2O3S — CID 93005218

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

4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93005218) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is 4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93005218
• Molecular Formula: C26H26N2O3S
• Molecular Weight: 446.57 g/mol
• Exact Mass: 446.17
• IUPAC Name: 4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(OC)cc2)cc1
• InChI: InChI=1S/C26H26N2O3S/c1-3-6-18-7-4-5-8-23(18)28-24(29)17-32-26(28)20-9-13-21(14-10-20)27-25(30)19-11-15-22(31-2)16-12-19/h4-5,7-16,26H,3,6,17H2,1-2H3,(H,27,30)/t26-/m1/s1
• InChIKey: LBOBLYFFDQLUIY-AREMUKBSSA-N
• XLogP: 5.68
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.57
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93005218) is 4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCc1ccccc1N1C(=O)CS[C@@H]1c1ccc(NC(=O)c2ccc(OC)cc2)cc1.

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

The InChIKey is LBOBLYFFDQLUIY-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26N2O3S/c1-3-6-18-7-4-5-8-23(18)28-24(29)17-32-26(28)20-9-13-21(14-10-20)27-25(30)19-11-15-22(31-2)16-12-19/h4-5,7-16,26H,3,6,17H2,1-2H3,(H,27,30)/t26-/m1/s1.

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

4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 446.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-N-[4-[(2R)-4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93005218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).