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

C25H24N2O4S — CID 93124940

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

3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (PubChem CID 93124940) has the molecular formula C25H24N2O4S and a molecular weight of 448.54 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• PubChem CID: 93124940
• Molecular Formula: C25H24N2O4S
• Molecular Weight: 448.54 g/mol
• Exact Mass: 448.15
• IUPAC Name: 3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(C)c3)c2)c1
• InChI: InChI=1S/C25H24N2O4S/c1-16-6-4-9-20(10-16)27-23(28)15-32-25(27)17-7-5-8-19(11-17)26-24(29)18-12-21(30-2)14-22(13-18)31-3/h4-14,25H,15H2,1-3H3,(H,26,29)/t25-/m1/s1
• InChIKey: ROBXDFUOMMMDRL-RUZDIDTESA-N
• XLogP: 5.04
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.54
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide (CID 93124940) is 3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(C)c3)c2)c1.

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

The InChIKey is ROBXDFUOMMMDRL-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N2O4S/c1-16-6-4-9-20(10-16)27-23(28)15-32-25(27)17-7-5-8-19(11-17)26-24(29)18-12-21(30-2)14-22(13-18)31-3/h4-14,25H,15H2,1-3H3,(H,26,29)/t25-/m1/s1.

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

3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide has a molecular weight of 448.54 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[3-[(2R)-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]benzamide is sourced from PubChem (CID 93124940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).