3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

C25H24N2O5S — CID 93125382

About 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide

3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93125382) has the molecular formula C25H24N2O5S and a molecular weight of 464.54 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93125382
• Molecular Formula: C25H24N2O5S
• Molecular Weight: 464.54 g/mol
• Exact Mass: 464.14
• IUPAC Name: 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)cc1
• InChI: InChI=1S/C25H24N2O5S/c1-30-20-10-8-19(9-11-20)27-23(28)15-33-25(27)16-4-6-18(7-5-16)26-24(29)17-12-21(31-2)14-22(13-17)32-3/h4-14,25H,15H2,1-3H3,(H,26,29)/t25-/m1/s1
• InChIKey: FTCSNVKCAIJHGL-RUZDIDTESA-N
• XLogP: 4.74
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.54
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The IUPAC name of 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93125382) is 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

What is the SMILES notation for 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The canonical SMILES for 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is COc1ccc(N2C(=O)CS[C@@H]2c2ccc(NC(=O)c3cc(OC)cc(OC)c3)cc2)cc1.

What is the InChIKey of 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

The InChIKey is FTCSNVKCAIJHGL-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N2O5S/c1-30-20-10-8-19(9-11-20)27-23(28)15-33-25(27)16-4-6-18(7-5-16)26-24(29)17-12-21(31-2)14-22(13-17)32-3/h4-14,25H,15H2,1-3H3,(H,26,29)/t25-/m1/s1.

What are the key properties of 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide?

3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 464.54 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[4-[(2R)-3-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93125382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).