4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

C24H22N4O4S — CID 55700622

IUPAC4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3-c3noc(C)n3)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-16-8-14-20(15-9-16)33(30,31)28(3)19-12-10-18(11-13-19)24(29)26-22-7-5-4-6-21(22)23-25-17(2)32-27-23/h4-15H,1-3H3,(H,26,29)
InChIKeyVTKUARPYIGSSTK-UHFFFAOYSA-N
MW462.53 g/mol
LogP4.43
Rot. Bonds6

About 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (PubChem CID 55700622) has the molecular formula C24H22N4O4S and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
PubChem CID55700622
Molecular FormulaC24H22N4O4S
Molecular Weight462.53 g/mol
Exact Mass462.14
IUPAC Name4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3-c3noc(C)n3)cc2)cc1
InChIInChI=1S/C24H22N4O4S/c1-16-8-14-20(15-9-16)33(30,31)28(3)19-12-10-18(11-13-19)24(29)26-22-7-5-4-6-21(22)23-25-17(2)32-27-23/h4-15H,1-3H3,(H,26,29)
InChIKeyVTKUARPYIGSSTK-UHFFFAOYSA-N
XLogP4.43
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.53
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700552
4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700547
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652
N-(2-methoxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1312611
N-[2-(difluoromethylsulfanyl)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26180986
4-bromo-3-(dimethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700495
N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55613605
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525403
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The IUPAC name of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide (CID 55700622) is 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide.
What is the SMILES notation for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The canonical SMILES for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3-c3noc(C)n3)cc2)cc1.
What is the InChIKey of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
The InChIKey is VTKUARPYIGSSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4S/c1-16-8-14-20(15-9-16)33(30,31)28(3)19-12-10-18(11-13-19)24(29)26-22-7-5-4-6-21(22)23-25-17(2)32-27-23/h4-15H,1-3H3,(H,26,29).
What are the key properties of 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide?
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide has a molecular weight of 462.53 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide is sourced from PubChem (CID 55700622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).