methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate

C14H17N3O5S — CID 86780365

IUPACmethyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)c2noc(C)n2)c(C)c1
InChIInChI=1S/C14H17N3O5S/c1-8-7-11(14(18)21-4)5-6-12(8)23(19,20)17-9(2)13-15-10(3)22-16-13/h5-7,9,17H,1-4H3
InChIKeyWXSDNNCGSVRISU-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.51
Rot. Bonds5

About methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate

methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate (PubChem CID 86780365) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate
PubChem CID86780365
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC Namemethyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)NC(C)c2noc(C)n2)c(C)c1
InChIInChI=1S/C14H17N3O5S/c1-8-7-11(14(18)21-4)5-6-12(8)23(19,20)17-9(2)13-15-10(3)22-16-13/h5-7,9,17H,1-4H3
InChIKeyWXSDNNCGSVRISU-UHFFFAOYSA-N
XLogP1.51
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate?
The IUPAC name of methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate (CID 86780365) is methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate?
The canonical SMILES for methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate is COC(=O)c1ccc(S(=O)(=O)NC(C)c2noc(C)n2)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate?
The InChIKey is WXSDNNCGSVRISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-8-7-11(14(18)21-4)5-6-12(8)23(19,20)17-9(2)13-15-10(3)22-16-13/h5-7,9,17H,1-4H3.
What are the key properties of methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate?
methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate has a molecular weight of 339.37 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethylsulfamoyl]benzoate is sourced from PubChem (CID 86780365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).