3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide

C19H22N2O5S — CID 42814889

About 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide

3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide (PubChem CID 42814889) has the molecular formula C19H22N2O5S and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

• Compound Name: 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
• PubChem CID: 42814889
• Molecular Formula: C19H22N2O5S
• Molecular Weight: 390.46 g/mol
• Exact Mass: 390.12
• IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide
• SMILES: COc1ccc(C2SCC(=O)N2CCC(=O)NCc2ccco2)cc1OC
• InChI: InChI=1S/C19H22N2O5S/c1-24-15-6-5-13(10-16(15)25-2)19-21(18(23)12-27-19)8-7-17(22)20-11-14-4-3-9-26-14/h3-6,9-10,19H,7-8,11-12H2,1-2H3,(H,20,22)
• InChIKey: WKLGKVDJYVFZCK-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.46
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?

The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide (CID 42814889) is 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide.

What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?

The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide is COc1ccc(C2SCC(=O)N2CCC(=O)NCc2ccco2)cc1OC.

What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?

The InChIKey is WKLGKVDJYVFZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S/c1-24-15-6-5-13(10-16(15)25-2)19-21(18(23)12-27-19)8-7-17(22)20-11-14-4-3-9-26-14/h3-6,9-10,19H,7-8,11-12H2,1-2H3,(H,20,22).

What are the key properties of 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide?

3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 390.46 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 42814889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).