N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide

C24H30N4O4S — CID 16917366

IUPACN-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C24H30N4O4S/c1-17(2)15-28(16-18(3)4)33(30,31)21-12-10-20(11-13-21)23(29)25-24-27-26-22(32-24)14-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3,(H,25,27,29)
InChIKeyZLSZOAGNEGTDQB-UHFFFAOYSA-N
MW470.60 g/mol
LogP4.22
Rot. Bonds10

About N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide

N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide (PubChem CID 16917366) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
PubChem CID16917366
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
SMILESCC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C24H30N4O4S/c1-17(2)15-28(16-18(3)4)33(30,31)21-12-10-20(11-13-21)23(29)25-24-27-26-22(32-24)14-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3,(H,25,27,29)
InChIKeyZLSZOAGNEGTDQB-UHFFFAOYSA-N
XLogP4.22
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974885
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43973238
4-(diethylsulfamoyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974528
4-[butyl(ethyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974882
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41027946
4-(dibutylsulfamoyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975155
4-(dibutylsulfamoyl)-N-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 16917575
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973211
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976701
4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974001
4-[benzyl(methyl)sulfamoyl]-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974342
4-methylsulfanyl-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974919

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide (CID 16917366) is N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide is CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccccc3)o2)cc1.
What is the InChIKey of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide?
The InChIKey is ZLSZOAGNEGTDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-17(2)15-28(16-18(3)4)33(30,31)21-12-10-20(11-13-21)23(29)25-24-27-26-22(32-24)14-19-8-6-5-7-9-19/h5-13,17-18H,14-16H2,1-4H3,(H,25,27,29).
What are the key properties of N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide?
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide has a molecular weight of 470.60 g/mol, XLogP of 4.22, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide is sourced from PubChem (CID 16917366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).