4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide

C25H20N2O3S — CID 41066332

About 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide

4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide (PubChem CID 41066332) has the molecular formula C25H20N2O3S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide.

Molecular Properties

• Compound Name: 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide
• PubChem CID: 41066332
• Molecular Formula: C25H20N2O3S
• Molecular Weight: 428.51 g/mol
• Exact Mass: 428.12
• IUPAC Name: 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide
• SMILES: O=C(Nc1cccc2ccccc12)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C25H20N2O3S/c28-23-16-31-25(27(23)15-20-7-4-14-30-20)19-12-10-18(11-13-19)24(29)26-22-9-3-6-17-5-1-2-8-21(17)22/h1-14,25H,15-16H2,(H,26,29)/t25-/m1/s1
• InChIKey: DBRHDZLAWXWWEV-RUZDIDTESA-N
• XLogP: 5.46
• TPSA: 62.55 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	428.51
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide (CID 41066332) is 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide.

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

The canonical SMILES for 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide is O=C(Nc1cccc2ccccc12)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1.

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

The InChIKey is DBRHDZLAWXWWEV-RUZDIDTESA-N. The full InChI is InChI=1S/C25H20N2O3S/c28-23-16-31-25(27(23)15-20-7-4-14-30-20)19-12-10-18(11-13-19)24(29)26-22-9-3-6-17-5-1-2-8-21(17)22/h1-14,25H,15-16H2,(H,26,29)/t25-/m1/s1.

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

4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide has a molecular weight of 428.51 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-naphthalen-1-ylbenzamide is sourced from PubChem (CID 41066332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).