4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide

C25H27N3O6S2 — CID 94862615

About 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide

4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 94862615) has the molecular formula C25H27N3O6S2 and a molecular weight of 529.64 g/mol. Its IUPAC name is 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

• Compound Name: 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
• PubChem CID: 94862615
• Molecular Formula: C25H27N3O6S2
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.13
• IUPAC Name: 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
• SMILES: COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1
• InChI: InChI=1S/C25H27N3O6S2/c1-16(2)27-36(31,32)20-10-11-22(33-3)21(13-20)26-24(30)17-6-8-18(9-7-17)25-28(23(29)15-35-25)14-19-5-4-12-34-19/h4-13,16,25,27H,14-15H2,1-3H3,(H,26,30)/t25-/m1/s1
• InChIKey: PKHJWBWWKZXRIA-RUZDIDTESA-N
• XLogP: 4.00
• TPSA: 117.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.64
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?

The IUPAC name of 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide (CID 94862615) is 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide.

What is the SMILES notation for 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?

The canonical SMILES for 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide is COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)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-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?

The InChIKey is PKHJWBWWKZXRIA-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27N3O6S2/c1-16(2)27-36(31,32)20-10-11-22(33-3)21(13-20)26-24(30)17-6-8-18(9-7-17)25-28(23(29)15-35-25)14-19-5-4-12-34-19/h4-13,16,25,27H,14-15H2,1-3H3,(H,26,30)/t25-/m1/s1.

What are the key properties of 4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide?

4-[(2R)-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-2-yl]-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide has a molecular weight of 529.64 g/mol, XLogP of 4.00, 9 rotatable bonds, 2 hydrogen bond donors, and 7 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-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 94862615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).