N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide

C19H19N3O5S — CID 43978155

IUPACN-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
SMILESCCS(=O)(=O)c1ccc(-c2nnc(NC(=O)COc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O5S/c1-3-28(24,25)16-10-6-14(7-11-16)18-21-22-19(27-18)20-17(23)12-26-15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,20,22,23)
InChIKeyOXJGUQDCHHQKNY-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.86
Rot. Bonds7

About N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide

N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide (PubChem CID 43978155) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
PubChem CID43978155
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC NameN-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
SMILESCCS(=O)(=O)c1ccc(-c2nnc(NC(=O)COc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C19H19N3O5S/c1-3-28(24,25)16-10-6-14(7-11-16)18-21-22-19(27-18)20-17(23)12-26-15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,20,22,23)
InChIKeyOXJGUQDCHHQKNY-UHFFFAOYSA-N
XLogP2.86
TPSA111.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-methylphenyl)sulfonylpropanamide
CID 7544170
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43977536
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 90603131
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43975698
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43975741
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977427

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide (CID 43978155) is N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide is CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)COc3ccc(C)cc3)o2)cc1.
What is the InChIKey of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
The InChIKey is OXJGUQDCHHQKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-3-28(24,25)16-10-6-14(7-11-16)18-21-22-19(27-18)20-17(23)12-26-15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,20,22,23).
What are the key properties of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide?
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide has a molecular weight of 401.44 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 43978155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).