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

C17H18N4O6S — CID 45494429

IUPAC2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(-c2noc(-c3ccc(S(=O)(=O)N(C)C)o3)n2)c1
InChIInChI=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)
InChIKeyLJMFNPHYUKAEJA-UHFFFAOYSA-N
MW406.42 g/mol
LogP1.37
Rot. Bonds7

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 Name2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide
PubChem CID45494429
Molecular FormulaC17H18N4O6S
Molecular Weight406.42 g/mol
Exact Mass406.09
IUPAC Name2-[3-[5-[5-(dimethylsulfamoyl)furan-2-yl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(-c2noc(-c3ccc(S(=O)(=O)N(C)C)o3)n2)c1
InChIInChI=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)
InChIKeyLJMFNPHYUKAEJA-UHFFFAOYSA-N
XLogP1.37
TPSA127.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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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).