4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C23H24N4O4S — CID 43973211

IUPAC4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C23H24N4O4S/c1-4-14-27(15-5-2)32(29,30)20-12-10-19(11-13-20)22(28)24-23-26-25-21(31-23)16-18-8-6-17(3)7-9-18/h4-13H,1-2,14-16H2,3H3,(H,24,26,28)
InChIKeyUPXOIXSAWSBURC-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.58
Rot. Bonds10

About 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43973211) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43973211
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3)o2)cc1
InChIInChI=1S/C23H24N4O4S/c1-4-14-27(15-5-2)32(29,30)20-12-10-19(11-13-20)22(28)24-23-26-25-21(31-23)16-18-8-6-17(3)7-9-18/h4-13H,1-2,14-16H2,3H3,(H,24,26,28)
InChIKeyUPXOIXSAWSBURC-UHFFFAOYSA-N
XLogP3.58
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854547
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155620
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43973238
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-[butyl(ethyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974882
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 43973184
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
CID 16917366
4-(dipropylsulfamoyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974001
methyl 4-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973208
4-(diethylsulfamoyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974528
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-morpholin-4-ylsulfonylbenzamide
CID 43973183

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43973211) is 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(Cc3ccc(C)cc3)o2)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is UPXOIXSAWSBURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-4-14-27(15-5-2)32(29,30)20-12-10-19(11-13-20)22(28)24-23-26-25-21(31-23)16-18-8-6-17(3)7-9-18/h4-13H,1-2,14-16H2,3H3,(H,24,26,28).
What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 452.54 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43973211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).