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

C21H24N2O3S — CID 42804337

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

N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide (PubChem CID 42804337) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide.

Molecular Properties

• Compound Name: N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide
• PubChem CID: 42804337
• Molecular Formula: C21H24N2O3S
• Molecular Weight: 384.50 g/mol
• Exact Mass: 384.15
• IUPAC Name: N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide
• SMILES: COc1ccc(C)cc1N1C(=O)CSC1c1ccccc1NC(=O)C(C)C
• InChI: InChI=1S/C21H24N2O3S/c1-13(2)20(25)22-16-8-6-5-7-15(16)21-23(19(24)12-27-21)17-11-14(3)9-10-18(17)26-4/h5-11,13,21H,12H2,1-4H3,(H,22,25)
• InChIKey: QXUISRJUAQUQQC-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 58.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.50
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide (CID 42804337) is N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide.

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

The canonical SMILES for N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide is COc1ccc(C)cc1N1C(=O)CSC1c1ccccc1NC(=O)C(C)C.

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

The InChIKey is QXUISRJUAQUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-13(2)20(25)22-16-8-6-5-7-15(16)21-23(19(24)12-27-21)17-11-14(3)9-10-18(17)26-4/h5-11,13,21H,12H2,1-4H3,(H,22,25).

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

N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide has a molecular weight of 384.50 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(2-methoxy-5-methylphenyl)-4-oxo-1,3-thiazolidin-2-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 42804337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).