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

C18H17FN4O4S — CID 43977636

IUPACN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C18H17FN4O4S/c1-23(2)28(25,26)15-9-5-13(6-10-15)17-21-22-18(27-17)20-16(24)11-12-3-7-14(19)8-4-12/h3-10H,11H2,1-2H3,(H,20,22,24)
InChIKeyRRJYNKPCEPNDTF-UHFFFAOYSA-N
MW404.42 g/mol
LogP2.31
Rot. Bonds6

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

N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 43977636) has the molecular formula C18H17FN4O4S and a molecular weight of 404.42 g/mol. Its IUPAC name is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
PubChem CID43977636
Molecular FormulaC18H17FN4O4S
Molecular Weight404.42 g/mol
Exact Mass404.10
IUPAC NameN-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)cc1
InChIInChI=1S/C18H17FN4O4S/c1-23(2)28(25,26)15-9-5-13(6-10-15)17-21-22-18(27-17)20-16(24)11-12-3-7-14(19)8-4-12/h3-10H,11H2,1-2H3,(H,20,22,24)
InChIKeyRRJYNKPCEPNDTF-UHFFFAOYSA-N
XLogP2.31
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43977681
2-(4-fluorophenyl)-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 11609085
2-(4-fluorophenyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977726
2-(4-chlorophenoxy)-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43977536
2-(4-chlorophenyl)-N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43978157
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43975741
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
2-(1,3-benzodioxol-5-yl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977823
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151711
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide
CID 7597311
N-[(3,5-difluorophenyl)methyl]-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 53011963

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide (CID 43977636) is N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide is CN(C)S(=O)(=O)c1ccc(-c2nnc(NC(=O)Cc3ccc(F)cc3)o2)cc1.
What is the InChIKey of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
The InChIKey is RRJYNKPCEPNDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O4S/c1-23(2)28(25,26)15-9-5-13(6-10-15)17-21-22-18(27-17)20-16(24)11-12-3-7-14(19)8-4-12/h3-10H,11H2,1-2H3,(H,20,22,24).
What are the key properties of N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide?
N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 404.42 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 43977636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).