N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

C23H22N2O3S2 — CID 92675168

About N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide

N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (PubChem CID 92675168) has the molecular formula C23H22N2O3S2 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

Molecular Properties

• Compound Name: N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
• PubChem CID: 92675168
• Molecular Formula: C23H22N2O3S2
• Molecular Weight: 438.57 g/mol
• Exact Mass: 438.11
• IUPAC Name: N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide
• SMILES: CCSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C23H22N2O3S2/c1-2-29-20-8-4-3-7-19(20)24-22(27)16-9-11-17(12-10-16)23-25(21(26)15-30-23)14-18-6-5-13-28-18/h3-13,23H,2,14-15H2,1H3,(H,24,27)/t23-/m0/s1
• InChIKey: UHKUGHTXKIJLMF-QHCPKHFHSA-N
• XLogP: 5.42
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.57
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide (CID 92675168) is N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide.

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

The canonical SMILES for N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is CCSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1.

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

The InChIKey is UHKUGHTXKIJLMF-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H22N2O3S2/c1-2-29-20-8-4-3-7-19(20)24-22(27)16-9-11-17(12-10-16)23-25(21(26)15-30-23)14-18-6-5-13-28-18/h3-13,23H,2,14-15H2,1H3,(H,24,27)/t23-/m0/s1.

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

N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide has a molecular weight of 438.57 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-ethylsulfanylphenyl)-4-[(2S)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]benzamide is sourced from PubChem (CID 92675168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).