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

C26H26N2O3S — CID 42807196

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

3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 42807196) has the molecular formula C26H26N2O3S and a molecular weight of 446.57 g/mol. Its IUPAC name is 3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 42807196
• Molecular Formula: C26H26N2O3S
• Molecular Weight: 446.57 g/mol
• Exact Mass: 446.17
• IUPAC Name: 3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: CCCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)c2cccc(OC)c2)c1
• InChI: InChI=1S/C26H26N2O3S/c1-3-8-18-9-4-5-14-23(18)28-24(29)17-32-26(28)20-11-6-12-21(15-20)27-25(30)19-10-7-13-22(16-19)31-2/h4-7,9-16,26H,3,8,17H2,1-2H3,(H,27,30)
• InChIKey: FVBGMWWHVLPWQH-UHFFFAOYSA-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 3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide?

The IUPAC name of 3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 42807196) is 3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is CCCc1ccccc1N1C(=O)CSC1c1cccc(NC(=O)c2cccc(OC)c2)c1.

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

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

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

3-methoxy-N-[3-[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 3-methoxy-N-[3-[4-oxo-3-(2-propylphenyl)-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 42807196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).