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

C21H22N4O5S — CID 18560915

IUPAC4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H22N4O5S/c1-25(14-17-8-5-13-29-17)31(27,28)18-11-9-15(10-12-18)19(26)22-21-24-23-20(30-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,22,24,26)
InChIKeyJZDUSKPCVBDDMP-UHFFFAOYSA-N
MW442.50 g/mol
LogP2.79
Rot. Bonds7

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

4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (PubChem CID 18560915) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
PubChem CID18560915
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Name4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
SMILESCN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C21H22N4O5S/c1-25(14-17-8-5-13-29-17)31(27,28)18-11-9-15(10-12-18)19(26)22-21-24-23-20(30-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,22,24,26)
InChIKeyJZDUSKPCVBDDMP-UHFFFAOYSA-N
XLogP2.79
TPSA114.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide 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 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The IUPAC name of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide (CID 18560915) is 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide.
What is the SMILES notation for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The canonical SMILES for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is CN(CC1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
The InChIKey is JZDUSKPCVBDDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-25(14-17-8-5-13-29-17)31(27,28)18-11-9-15(10-12-18)19(26)22-21-24-23-20(30-21)16-6-3-2-4-7-16/h2-4,6-7,9-12,17H,5,8,13-14H2,1H3,(H,22,24,26).
What are the key properties of 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide?
4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide has a molecular weight of 442.50 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(oxolan-2-ylmethyl)sulfamoyl]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide is sourced from PubChem (CID 18560915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).