4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

C18H20N4O4S2 — CID 3245694

IUPAC4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H20N4O4S2/c1-3-4-11-22(2)28(24,25)14-9-7-13(8-10-14)16(23)19-18-21-20-17(26-18)15-6-5-12-27-15/h5-10,12H,3-4,11H2,1-2H3,(H,19,21,23)
InChIKeyFDYCCWQHNPUFGH-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.47
Rot. Bonds8

About 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide

4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3245694) has the molecular formula C18H20N4O4S2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3245694
Molecular FormulaC18H20N4O4S2
Molecular Weight420.52 g/mol
Exact Mass420.09
IUPAC Name4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C18H20N4O4S2/c1-3-4-11-22(2)28(24,25)14-9-7-13(8-10-14)16(23)19-18-21-20-17(26-18)15-6-5-12-27-15/h5-10,12H,3-4,11H2,1-2H3,(H,19,21,23)
InChIKeyFDYCCWQHNPUFGH-UHFFFAOYSA-N
XLogP3.47
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 3245694) is 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is FDYCCWQHNPUFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4S2/c1-3-4-11-22(2)28(24,25)14-9-7-13(8-10-14)16(23)19-18-21-20-17(26-18)15-6-5-12-27-15/h5-10,12H,3-4,11H2,1-2H3,(H,19,21,23).
What are the key properties of 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 420.52 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(methyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3245694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).