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

C25H24N2O3S — CID 42807662

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

N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide (PubChem CID 42807662) has the molecular formula C25H24N2O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide
• PubChem CID: 42807662
• Molecular Formula: C25H24N2O3S
• Molecular Weight: 432.55 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide
• SMILES: COc1cccc(C(=O)Nc2cccc(C3SCC(=O)N3c3cc(C)cc(C)c3)c2)c1
• InChI: InChI=1S/C25H24N2O3S/c1-16-10-17(2)12-21(11-16)27-23(28)15-31-25(27)19-7-4-8-20(13-19)26-24(29)18-6-5-9-22(14-18)30-3/h4-14,25H,15H2,1-3H3,(H,26,29)
• InChIKey: GASBOURMFQPOKG-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.55
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide (CID 42807662) is N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide.

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

The canonical SMILES for N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide is COc1cccc(C(=O)Nc2cccc(C3SCC(=O)N3c3cc(C)cc(C)c3)c2)c1.

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

The InChIKey is GASBOURMFQPOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3S/c1-16-10-17(2)12-21(11-16)27-23(28)15-31-25(27)19-7-4-8-20(13-19)26-24(29)18-6-5-9-22(14-18)30-3/h4-14,25H,15H2,1-3H3,(H,26,29).

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

N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide has a molecular weight of 432.55 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(3,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 42807662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).