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

C24H22N4O6S2 — CID 43978019

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

N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (PubChem CID 43978019) has the molecular formula C24H22N4O6S2 and a molecular weight of 526.60 g/mol. Its IUPAC name is N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

Molecular Properties

• Compound Name: N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
• PubChem CID: 43978019
• Molecular Formula: C24H22N4O6S2
• Molecular Weight: 526.60 g/mol
• Exact Mass: 526.10
• IUPAC Name: N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide
• SMILES: CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)o2)cc1
• InChI: InChI=1S/C24H22N4O6S2/c1-3-35(30,31)20-13-11-18(12-14-20)23-26-27-24(34-23)25-22(29)17-9-15-21(16-10-17)36(32,33)28(2)19-7-5-4-6-8-19/h4-16H,3H2,1-2H3,(H,25,27,29)
• InChIKey: VARHOSPZHQSXBA-UHFFFAOYSA-N
• XLogP: 3.61
• TPSA: 139.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.60
LogP ≤ 5	3.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?

The IUPAC name of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide (CID 43978019) is N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide.

What is the SMILES notation for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?

The canonical SMILES for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is CCS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)o2)cc1.

What is the InChIKey of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?

The InChIKey is VARHOSPZHQSXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O6S2/c1-3-35(30,31)20-13-11-18(12-14-20)23-26-27-24(34-23)25-22(29)17-9-15-21(16-10-17)36(32,33)28(2)19-7-5-4-6-8-19/h4-16H,3H2,1-2H3,(H,25,27,29).

What are the key properties of N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide?

N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide has a molecular weight of 526.60 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(4-ethylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-[methyl(phenyl)sulfamoyl]benzamide is sourced from PubChem (CID 43978019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).