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

C20H20N4O4S — CID 2051214

IUPAC4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C20H20N4O4S/c1-24(13-14-5-3-2-4-6-14)29(26,27)17-11-9-15(10-12-17)18(25)21-20-23-22-19(28-20)16-7-8-16/h2-6,9-12,16H,7-8,13H2,1H3,(H,21,23,25)
InChIKeyZFBGQOLXKQLHAG-UHFFFAOYSA-N
MW412.47 g/mol
LogP3.02
Rot. Bonds7

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

4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 2051214) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID2051214
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C20H20N4O4S/c1-24(13-14-5-3-2-4-6-14)29(26,27)17-11-9-15(10-12-17)18(25)21-20-23-22-19(28-20)16-7-8-16/h2-6,9-12,16H,7-8,13H2,1H3,(H,21,23,25)
InChIKeyZFBGQOLXKQLHAG-UHFFFAOYSA-N
XLogP3.02
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide (CID 2051214) is 4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is ZFBGQOLXKQLHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c1-24(13-14-5-3-2-4-6-14)29(26,27)17-11-9-15(10-12-17)18(25)21-20-23-22-19(28-20)16-7-8-16/h2-6,9-12,16H,7-8,13H2,1H3,(H,21,23,25).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide?
4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 412.47 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 2051214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).