N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide

C26H26N2O4S — CID 93125784

About N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide

N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide (PubChem CID 93125784) has the molecular formula C26H26N2O4S and a molecular weight of 462.57 g/mol. Its IUPAC name is N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide
• PubChem CID: 93125784
• Molecular Formula: C26H26N2O4S
• Molecular Weight: 462.57 g/mol
• Exact Mass: 462.16
• IUPAC Name: N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3C)c2)c1
• InChI: InChI=1S/C26H26N2O4S/c1-16-8-9-23(17(2)10-16)28-24(29)15-33-26(28)18-6-5-7-20(11-18)27-25(30)19-12-21(31-3)14-22(13-19)32-4/h5-14,26H,15H2,1-4H3,(H,27,30)/t26-/m1/s1
• InChIKey: MOQSOMWAEOCWKX-AREMUKBSSA-N
• XLogP: 5.35
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.57
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide (CID 93125784) is N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide.

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

The canonical SMILES for N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3ccc(C)cc3C)c2)c1.

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

The InChIKey is MOQSOMWAEOCWKX-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26N2O4S/c1-16-8-9-23(17(2)10-16)28-24(29)15-33-26(28)18-6-5-7-20(11-18)27-25(30)19-12-21(31-3)14-22(13-19)32-4/h5-14,26H,15H2,1-4H3,(H,27,30)/t26-/m1/s1.

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

N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide has a molecular weight of 462.57 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 93125784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).