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

C27H28N4O6S2 — CID 43974885

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

4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43974885) has the molecular formula C27H28N4O6S2 and a molecular weight of 568.68 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 43974885
• Molecular Formula: C27H28N4O6S2
• Molecular Weight: 568.68 g/mol
• Exact Mass: 568.15
• IUPAC Name: 4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)o2)cc1
• InChI: InChI=1S/C27H28N4O6S2/c1-19(2)38(33,34)23-13-9-20(10-14-23)17-25-29-30-27(37-25)28-26(32)22-11-15-24(16-12-22)39(35,36)31(3)18-21-7-5-4-6-8-21/h4-16,19H,17-18H2,1-3H3,(H,28,30,32)
• InChIKey: JDAZUSMWQGXZPC-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 139.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	568.68
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43974885) is 4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CC(C)S(=O)(=O)c1ccc(Cc2nnc(NC(=O)c3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3)o2)cc1.

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

The InChIKey is JDAZUSMWQGXZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O6S2/c1-19(2)38(33,34)23-13-9-20(10-14-23)17-25-29-30-27(37-25)28-26(32)22-11-15-24(16-12-22)39(35,36)31(3)18-21-7-5-4-6-8-21/h4-16,19H,17-18H2,1-3H3,(H,28,30,32).

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

4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 568.68 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[benzyl(methyl)sulfamoyl]-N-[5-[(4-propan-2-ylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43974885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).