3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide

C21H24F2N2O5S — CID 24550252

About 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide

3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide (PubChem CID 24550252) has the molecular formula C21H24F2N2O5S and a molecular weight of 454.50 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
• PubChem CID: 24550252
• Molecular Formula: C21H24F2N2O5S
• Molecular Weight: 454.50 g/mol
• Exact Mass: 454.14
• IUPAC Name: 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide
• SMILES: CCOc1cc2c(cc1CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)OC(C)C2
• InChI: InChI=1S/C21H24F2N2O5S/c1-3-29-19-9-14-8-13(2)30-20(14)10-15(19)12-24-21(26)6-7-25-31(27,28)16-4-5-17(22)18(23)11-16/h4-5,9-11,13,25H,3,6-8,12H2,1-2H3,(H,24,26)
• InChIKey: IGQBCJJQRKGPJK-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 93.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.50
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide?

The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide (CID 24550252) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide.

What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide?

The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide is CCOc1cc2c(cc1CNC(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1)OC(C)C2.

What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide?

The InChIKey is IGQBCJJQRKGPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O5S/c1-3-29-19-9-14-8-13(2)30-20(14)10-15(19)12-24-21(26)6-7-25-31(27,28)16-4-5-17(22)18(23)11-16/h4-5,9-11,13,25H,3,6-8,12H2,1-2H3,(H,24,26).

What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide?

3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide has a molecular weight of 454.50 g/mol, XLogP of 2.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]propanamide is sourced from PubChem (CID 24550252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).