N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide

C24H28N2O3S — CID 42804330

About N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide

N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 42804330) has the molecular formula C24H28N2O3S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
• PubChem CID: 42804330
• Molecular Formula: C24H28N2O3S
• Molecular Weight: 424.57 g/mol
• Exact Mass: 424.18
• IUPAC Name: N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide
• SMILES: COc1ccc(C)cc1N1C(=O)CSC1c1ccc(NC(=O)C2CCCCC2)cc1
• InChI: InChI=1S/C24H28N2O3S/c1-16-8-13-21(29-2)20(14-16)26-22(27)15-30-24(26)18-9-11-19(12-10-18)25-23(28)17-6-4-3-5-7-17/h8-14,17,24H,3-7,15H2,1-2H3,(H,25,28)
• InChIKey: CMVGQOFICOWCEB-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.57
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide (CID 42804330) is N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide.

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

The canonical SMILES for N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide is COc1ccc(C)cc1N1C(=O)CSC1c1ccc(NC(=O)C2CCCCC2)cc1.

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

The InChIKey is CMVGQOFICOWCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3S/c1-16-8-13-21(29-2)20(14-16)26-22(27)15-30-24(26)18-9-11-19(12-10-18)25-23(28)17-6-4-3-5-7-17/h8-14,17,24H,3-7,15H2,1-2H3,(H,25,28).

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

N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 424.57 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 42804330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).