N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

C19H20N2O6S — CID 43053212

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (PubChem CID 43053212) has the molecular formula C19H20N2O6S and a molecular weight of 404.44 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

• Compound Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
• PubChem CID: 43053212
• Molecular Formula: C19H20N2O6S
• Molecular Weight: 404.44 g/mol
• Exact Mass: 404.10
• IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
• SMILES: CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)oc(=O)n3C)OC(C)C2
• InChI: InChI=1S/C19H20N2O6S/c1-4-25-17-8-12-7-11(2)26-16(12)10-14(17)20-28(23,24)13-5-6-15-18(9-13)27-19(22)21(15)3/h5-6,8-11,20H,4,7H2,1-3H3
• InChIKey: APUNNRXNRKHBKC-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 99.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.44
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?

The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide (CID 43053212) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide.

What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?

The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is CCOc1cc2c(cc1NS(=O)(=O)c1ccc3c(c1)oc(=O)n3C)OC(C)C2.

What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?

The InChIKey is APUNNRXNRKHBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6S/c1-4-25-17-8-12-7-11(2)26-16(12)10-14(17)20-28(23,24)13-5-6-15-18(9-13)27-19(22)21(15)3/h5-6,8-11,20H,4,7H2,1-3H3.

What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide?

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide has a molecular weight of 404.44 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 43053212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).