N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

C17H22N4O4S — CID 53011956

IUPACN-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C17H22N4O4S/c1-21(2)26(23,24)14-10-8-12(9-11-14)16-19-20-17(25-16)15(22)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,22)
InChIKeyXQWOSRGZUTYYAH-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.05
Rot. Bonds5

About N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide

N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide (PubChem CID 53011956) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
PubChem CID53011956
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC NameN-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C17H22N4O4S/c1-21(2)26(23,24)14-10-8-12(9-11-14)16-19-20-17(25-16)15(22)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,22)
InChIKeyXQWOSRGZUTYYAH-UHFFFAOYSA-N
XLogP2.05
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide (CID 53011956) is N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide is CN(C)S(=O)(=O)c1ccc(-c2nnc(C(=O)NC3CCCCC3)o2)cc1.
What is the InChIKey of N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is XQWOSRGZUTYYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-21(2)26(23,24)14-10-8-12(9-11-14)16-19-20-17(25-16)15(22)18-13-6-4-3-5-7-13/h8-11,13H,3-7H2,1-2H3,(H,18,22).
What are the key properties of N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide?
N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 378.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[4-(dimethylsulfamoyl)phenyl]-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 53011956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).