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

C17H20N4O5S — CID 2155620

IUPAC4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1
InChIInChI=1S/C17H20N4O5S/c1-4-10-21(11-5-2)27(23,24)14-8-6-13(7-9-14)16(22)18-17-20-19-15(26-17)12-25-3/h4-9H,1-2,10-12H2,3H3,(H,18,20,22)
InChIKeyWHFFHMRXMDAIBS-UHFFFAOYSA-N
MW392.44 g/mol
LogP1.83
Rot. Bonds10

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

4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 2155620) has the molecular formula C17H20N4O5S and a molecular weight of 392.44 g/mol. Its IUPAC name is 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID2155620
Molecular FormulaC17H20N4O5S
Molecular Weight392.44 g/mol
Exact Mass392.12
IUPAC Name4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESC=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1
InChIInChI=1S/C17H20N4O5S/c1-4-10-21(11-5-2)27(23,24)14-8-6-13(7-9-14)16(22)18-17-20-19-15(26-17)12-25-3/h4-9H,1-2,10-12H2,3H3,(H,18,20,22)
InChIKeyWHFFHMRXMDAIBS-UHFFFAOYSA-N
XLogP1.83
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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(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-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4164190
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 5228772
4-[bis(prop-2-enyl)sulfamoyl]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 3545513
N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 3541908
4-(dimethylsulfamoyl)-N-[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 2051259
4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16854590
4-[bis(prop-2-enyl)sulfamoyl]benzoic acid
CID 2049576
N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
CID 16917366
4-(dibutylsulfamoyl)-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975155
4-[butyl(ethyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974882

Frequently Asked Questions

What is the IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 2155620) is 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide is C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1.
What is the InChIKey of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is WHFFHMRXMDAIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O5S/c1-4-10-21(11-5-2)27(23,24)14-8-6-13(7-9-14)16(22)18-17-20-19-15(26-17)12-25-3/h4-9H,1-2,10-12H2,3H3,(H,18,20,22).
What are the key properties of 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 392.44 g/mol, XLogP of 1.83, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 2155620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).