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

C19H22N4O4S2 — CID 2057778

IUPAC4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C19H22N4O4S2/c1-3-5-12-23(4-2)29(25,26)15-10-8-14(9-11-15)17(24)20-19-22-21-18(27-19)16-7-6-13-28-16/h6-11,13H,3-5,12H2,1-2H3,(H,20,22,24)
InChIKeyMIHYNNNZRUFMHZ-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.86
Rot. Bonds9

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

4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2057778) has the molecular formula C19H22N4O4S2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2057778
Molecular FormulaC19H22N4O4S2
Molecular Weight434.54 g/mol
Exact Mass434.11
IUPAC Name4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C19H22N4O4S2/c1-3-5-12-23(4-2)29(25,26)15-10-8-14(9-11-15)17(24)20-19-22-21-18(27-19)16-7-6-13-28-16/h6-11,13H,3-5,12H2,1-2H3,(H,20,22,24)
InChIKeyMIHYNNNZRUFMHZ-UHFFFAOYSA-N
XLogP3.86
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide (CID 2057778) is 4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is MIHYNNNZRUFMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S2/c1-3-5-12-23(4-2)29(25,26)15-10-8-14(9-11-15)17(24)20-19-22-21-18(27-19)16-7-6-13-28-16/h6-11,13H,3-5,12H2,1-2H3,(H,20,22,24).
What are the key properties of 4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide?
4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 434.54 g/mol, XLogP of 3.86, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(ethyl)sulfamoyl]-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2057778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).