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

C19H18N4O4S — CID 2051141

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C19H18N4O4S/c1-23(15-5-3-2-4-6-15)28(25,26)16-11-9-13(10-12-16)17(24)20-19-22-21-18(27-19)14-7-8-14/h2-6,9-12,14H,7-8H2,1H3,(H,20,22,24)
InChIKeyODKTYOCIKJQXIC-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.02
Rot. Bonds6

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

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 2051141) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
PubChem CID2051141
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide
SMILESCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
InChIInChI=1S/C19H18N4O4S/c1-23(15-5-3-2-4-6-15)28(25,26)16-11-9-13(10-12-16)17(24)20-19-22-21-18(27-19)14-7-8-14/h2-6,9-12,14H,7-8H2,1H3,(H,20,22,24)
InChIKeyODKTYOCIKJQXIC-UHFFFAOYSA-N
XLogP3.02
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide (CID 2051141) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide is CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
The InChIKey is ODKTYOCIKJQXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-23(15-5-3-2-4-6-15)28(25,26)16-11-9-13(10-12-16)17(24)20-19-22-21-18(27-19)14-7-8-14/h2-6,9-12,14H,7-8H2,1H3,(H,20,22,24).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 398.44 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 2051141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).