2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide

C17H18N4O6S — CID 45494429

About 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide

2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide (PubChem CID 45494429) has the molecular formula C17H18N4O6S and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide
• PubChem CID: 45494429
• Molecular Formula: C17H18N4O6S
• Molecular Weight: 406.42 g/mol
• Exact Mass: 406.09
• IUPAC Name: 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide
• SMILES: CNC(=O)COc1cccc(-c2noc(-c3ccc(S(=O)(=O)N(C)C)o3)n2)c1
• InChI: InChI=1S/C17H18N4O6S/c1-18-14(22)10-25-12-6-4-5-11(9-12)16-19-17(27-20-16)13-7-8-15(26-13)28(23,24)21(2)3/h4-9H,10H2,1-3H3,(H,18,22)
• InChIKey: LJMFNPHYUKAEJA-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 127.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.42
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide?

The IUPAC name of 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide (CID 45494429) is 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide.

What is the SMILES notation for 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide?

The canonical SMILES for 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(-c2noc(-c3ccc(S(=O)(=O)N(C)C)o3)n2)c1.

What is the InChIKey of 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide?

The InChIKey is LJMFNPHYUKAEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O6S/c1-18-14(22)10-25-12-6-4-5-11(9-12)16-19-17(27-20-16)13-7-8-15(26-13)28(23,24)21(2)3/h4-9H,10H2,1-3H3,(H,18,22).

What are the key properties of 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide?

2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide has a molecular weight of 406.42 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide is sourced from PubChem (CID 45494429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).