3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide

C19H21NO5S — CID 25358836

About 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide

3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide (PubChem CID 25358836) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide.

Molecular Properties

• Compound Name: 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
• PubChem CID: 25358836
• Molecular Formula: C19H21NO5S
• Molecular Weight: 375.45 g/mol
• Exact Mass: 375.11
• IUPAC Name: 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide
• SMILES: CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(C)=O)c1)O[C@H](C)C2
• InChI: InChI=1S/C19H21NO5S/c1-4-24-19-10-15-8-12(2)25-18(15)11-17(19)20-26(22,23)16-7-5-6-14(9-16)13(3)21/h5-7,9-12,20H,4,8H2,1-3H3/t12-/m1/s1
• InChIKey: LLEXZXSFEXFCJE-GFCCVEGCSA-N
• XLogP: 3.41
• TPSA: 81.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.45
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide?

The IUPAC name of 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide (CID 25358836) is 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide.

What is the SMILES notation for 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide?

The canonical SMILES for 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide is CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C(C)=O)c1)O[C@H](C)C2.

What is the InChIKey of 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide?

The InChIKey is LLEXZXSFEXFCJE-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-4-24-19-10-15-8-12(2)25-18(15)11-17(19)20-26(22,23)16-7-5-6-14(9-16)13(3)21/h5-7,9-12,20H,4,8H2,1-3H3/t12-/m1/s1.

What are the key properties of 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide?

3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide has a molecular weight of 375.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]benzenesulfonamide is sourced from PubChem (CID 25358836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).