4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide

C21H24N4O4S — CID 3353866

IUPAC4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)(C)C)o2)cc1
InChIInChI=1S/C21H24N4O4S/c1-21(2,3)19-23-24-20(29-19)22-18(26)16-10-12-17(13-11-16)30(27,28)25(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,24,26)
InChIKeyANRUWOZBQCIROF-UHFFFAOYSA-N
MW428.51 g/mol
LogP3.44
Rot. Bonds6

About 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide

4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 3353866) has the molecular formula C21H24N4O4S and a molecular weight of 428.51 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID3353866
Molecular FormulaC21H24N4O4S
Molecular Weight428.51 g/mol
Exact Mass428.15
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)(C)C)o2)cc1
InChIInChI=1S/C21H24N4O4S/c1-21(2,3)19-23-24-20(29-19)22-18(26)16-10-12-17(13-11-16)30(27,28)25(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,24,26)
InChIKeyANRUWOZBQCIROF-UHFFFAOYSA-N
XLogP3.44
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972439
N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 3541908
4-[benzyl(methyl)sulfamoyl]-N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16810023
4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974885
4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974342
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
CID 109060739
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127
4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 2051211
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
4-[methyl(phenyl)sulfamoyl]-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 43952112
4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide (CID 3353866) is 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C(C)(C)C)o2)cc1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ANRUWOZBQCIROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4S/c1-21(2,3)19-23-24-20(29-19)22-18(26)16-10-12-17(13-11-16)30(27,28)25(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,22,24,26).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide?
4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 428.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 3353866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).