N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

C24H26N2O6S — CID 41214808

About N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (PubChem CID 41214808) has the molecular formula C24H26N2O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

• Compound Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
• PubChem CID: 41214808
• Molecular Formula: C24H26N2O6S
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.15
• IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide
• SMILES: CCOc1cc2c(cc1CNC(=O)c1ccc(S(=O)(=O)NCc3ccco3)cc1)O[C@@H](C)C2
• InChI: InChI=1S/C24H26N2O6S/c1-3-30-22-12-18-11-16(2)32-23(18)13-19(22)14-25-24(27)17-6-8-21(9-7-17)33(28,29)26-15-20-5-4-10-31-20/h4-10,12-13,16,26H,3,11,14-15H2,1-2H3,(H,25,27)/t16-/m0/s1
• InChIKey: DJWQGKCRGNZWIK-INIZCTEOSA-N
• XLogP: 3.41
• TPSA: 106.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?

The IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide (CID 41214808) is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide.

What is the SMILES notation for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?

The canonical SMILES for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is CCOc1cc2c(cc1CNC(=O)c1ccc(S(=O)(=O)NCc3ccco3)cc1)O[C@@H](C)C2.

What is the InChIKey of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?

The InChIKey is DJWQGKCRGNZWIK-INIZCTEOSA-N. The full InChI is InChI=1S/C24H26N2O6S/c1-3-30-22-12-18-11-16(2)32-23(18)13-19(22)14-25-24(27)17-6-8-21(9-7-17)33(28,29)26-15-20-5-4-10-31-20/h4-10,12-13,16,26H,3,11,14-15H2,1-2H3,(H,25,27)/t16-/m0/s1.

What are the key properties of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide?

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 470.55 g/mol, XLogP of 3.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(furan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 41214808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).