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

C17H24N4O5S — CID 2155619

IUPAC4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1
InChIInChI=1S/C17H24N4O5S/c1-4-6-11-21(5-2)27(23,24)14-9-7-13(8-10-14)16(22)18-17-20-19-15(26-17)12-25-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20,22)
InChIKeyGYAFDAIOPPDEHF-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.28
Rot. Bonds10

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

4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2155619) has the molecular formula C17H24N4O5S and a molecular weight of 396.47 g/mol. Its IUPAC name is 4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2155619
Molecular FormulaC17H24N4O5S
Molecular Weight396.47 g/mol
Exact Mass396.15
IUPAC Name4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1
InChIInChI=1S/C17H24N4O5S/c1-4-6-11-21(5-2)27(23,24)14-9-7-13(8-10-14)16(22)18-17-20-19-15(26-17)12-25-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20,22)
InChIKeyGYAFDAIOPPDEHF-UHFFFAOYSA-N
XLogP2.28
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.28
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-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2155619) is 4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide is CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1.
What is the InChIKey of 4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is GYAFDAIOPPDEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O5S/c1-4-6-11-21(5-2)27(23,24)14-9-7-13(8-10-14)16(22)18-17-20-19-15(26-17)12-25-3/h7-10H,4-6,11-12H2,1-3H3,(H,18,20,22).
What are the key properties of 4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[butyl(ethyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 396.47 g/mol, XLogP of 2.28, 10 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-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2155619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).