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

C22H22N4O4S — CID 16854547

IUPAC4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C22H22N4O4S/c1-4-14-26(15-5-2)31(28,29)19-12-10-17(11-13-19)20(27)23-22-25-24-21(30-22)18-8-6-16(3)7-9-18/h4-13H,1-2,14-15H2,3H3,(H,23,25,27)
InChIKeyNCWHPYWRNOQANT-UHFFFAOYSA-N
MW438.51 g/mol
LogP3.66
Rot. Bonds9

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

4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16854547) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16854547
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)o2)cc1
InChIInChI=1S/C22H22N4O4S/c1-4-14-26(15-5-2)31(28,29)19-12-10-17(11-13-19)20(27)23-22-25-24-21(30-22)18-8-6-16(3)7-9-18/h4-13H,1-2,14-15H2,3H3,(H,23,25,27)
InChIKeyNCWHPYWRNOQANT-UHFFFAOYSA-N
XLogP3.66
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 53.66
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)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973211
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854590
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4164190
4-ethylsulfonyl-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854620
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2155620
4-[bis(2-methylpropyl)sulfamoyl]-N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43976701
4-cyano-N-[5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43977519
4-(dimethylsulfamoyl)-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972303
4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 3545513
4-(dimethylsulfamoyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854704
N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 43978019
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16854547) is 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(C)cc3)o2)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NCWHPYWRNOQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-4-14-26(15-5-2)31(28,29)19-12-10-17(11-13-19)20(27)23-22-25-24-21(30-22)18-8-6-16(3)7-9-18/h4-13H,1-2,14-15H2,3H3,(H,23,25,27).
What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 3.66, 9 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)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16854547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).