2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide

C18H17ClN4O5S — CID 43977536

IUPAC2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H17ClN4O5S/c1-23(2)29(25,26)15-9-3-12(4-10-15)17-21-22-18(28-17)20-16(24)11-27-14-7-5-13(19)6-8-14/h3-10H,11H2,1-2H3,(H,20,22,24)
InChIKeyZKUXUHAZYAZYSZ-UHFFFAOYSA-N
MW436.88 g/mol
LogP2.66
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide

2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43977536) has the molecular formula C18H17ClN4O5S and a molecular weight of 436.88 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43977536
Molecular FormulaC18H17ClN4O5S
Molecular Weight436.88 g/mol
Exact Mass436.06
IUPAC Name2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C18H17ClN4O5S/c1-23(2)29(25,26)15-9-3-12(4-10-15)17-21-22-18(28-17)20-16(24)11-27-14-7-5-13(19)6-8-14/h3-10H,11H2,1-2H3,(H,20,22,24)
InChIKeyZKUXUHAZYAZYSZ-UHFFFAOYSA-N
XLogP2.66
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.88
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43978155
2-(4-chlorophenoxy)-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43976699
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43977681
2,4-dichloro-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977508
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 43977636
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-ethoxyphenyl)acetamide
CID 8719964
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenoxy)acetamide
CID 43975792
2-(4-chlorophenoxy)-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 30125973
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-yloxybenzamide
CID 43977589
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 142734015

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43977536) is 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)COc3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is ZKUXUHAZYAZYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O5S/c1-23(2)29(25,26)15-9-3-12(4-10-15)17-21-22-18(28-17)20-16(24)11-27-14-7-5-13(19)6-8-14/h3-10H,11H2,1-2H3,(H,20,22,24).
What are the key properties of 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 436.88 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43977536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).