N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide

C14H17N3O5S — CID 154787668

IUPACN-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NS(=O)(=O)Cc2ncon2)c(C)c1
InChIInChI=1S/C14H17N3O5S/c1-9-4-10(2)14(11(3)5-9)21-6-13(18)17-23(19,20)7-12-15-8-22-16-12/h4-5,8H,6-7H2,1-3H3,(H,17,18)
InChIKeyCXPKQEYUHBSELX-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.02
Rot. Bonds6

About N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide

N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide (PubChem CID 154787668) has the molecular formula C14H17N3O5S and a molecular weight of 339.37 g/mol. Its IUPAC name is N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide
PubChem CID154787668
Molecular FormulaC14H17N3O5S
Molecular Weight339.37 g/mol
Exact Mass339.09
IUPAC NameN-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide
SMILESCc1cc(C)c(OCC(=O)NS(=O)(=O)Cc2ncon2)c(C)c1
InChIInChI=1S/C14H17N3O5S/c1-9-4-10(2)14(11(3)5-9)21-6-13(18)17-23(19,20)7-12-15-8-22-16-12/h4-5,8H,6-7H2,1-3H3,(H,17,18)
InChIKeyCXPKQEYUHBSELX-UHFFFAOYSA-N
XLogP1.02
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide 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 N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The IUPAC name of N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide (CID 154787668) is N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide.
What is the SMILES notation for N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The canonical SMILES for N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide is Cc1cc(C)c(OCC(=O)NS(=O)(=O)Cc2ncon2)c(C)c1.
What is the InChIKey of N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide?
The InChIKey is CXPKQEYUHBSELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5S/c1-9-4-10(2)14(11(3)5-9)21-6-13(18)17-23(19,20)7-12-15-8-22-16-12/h4-5,8H,6-7H2,1-3H3,(H,17,18).
What are the key properties of N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide?
N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide has a molecular weight of 339.37 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-oxadiazol-3-ylmethylsulfonyl)-2-(2,4,6-trimethylphenoxy)acetamide is sourced from PubChem (CID 154787668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).