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

C21H22N4O4S — CID 2051211

IUPAC4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C21H22N4O4S/c1-2-25(14-15-6-4-3-5-7-15)30(27,28)18-12-10-16(11-13-18)19(26)22-21-24-23-20(29-21)17-8-9-17/h3-7,10-13,17H,2,8-9,14H2,1H3,(H,22,24,26)
InChIKeyOFDGTKZSUYFKKW-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.41
Rot. Bonds8

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

4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2051211) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2051211
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C21H22N4O4S/c1-2-25(14-15-6-4-3-5-7-15)30(27,28)18-12-10-16(11-13-18)19(26)22-21-24-23-20(29-21)17-8-9-17/h3-7,10-13,17H,2,8-9,14H2,1H3,(H,22,24,26)
InChIKeyOFDGTKZSUYFKKW-UHFFFAOYSA-N
XLogP3.41
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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4-[benzyl(ethyl)sulfamoyl]-N-(2,5-dimethylpyrazol-3-yl)benzamide
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4-[benzyl(ethyl)sulfamoyl]-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
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N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-(diethylsulfamoyl)benzamide
CID 3541908
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N-(5-benzyl-1,3,4-oxadiazol-2-yl)-4-[bis(2-methylpropyl)sulfamoyl]benzamide
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4-amino-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
CID 61252319
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylbenzamide
CID 2051172
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-morpholin-4-ylsulfonylbenzamide
CID 2051187
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide (CID 2051211) is 4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide is CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1.
What is the InChIKey of 4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is OFDGTKZSUYFKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-2-25(14-15-6-4-3-5-7-15)30(27,28)18-12-10-16(11-13-18)19(26)22-21-24-23-20(29-21)17-8-9-17/h3-7,10-13,17H,2,8-9,14H2,1H3,(H,22,24,26).
What are the key properties of 4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 426.50 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(ethyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2051211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).