4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C22H26N4O6S2 — CID 41028039

About 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 41028039) has the molecular formula C22H26N4O6S2 and a molecular weight of 506.61 g/mol. Its IUPAC name is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 41028039
• Molecular Formula: C22H26N4O6S2
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.13
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)cc1
• InChI: InChI=1S/C22H26N4O6S2/c1-30-14-12-26(13-15-31-2)34(28,29)17-10-8-16(9-11-17)20(27)23-22-25-24-21(32-22)18-6-4-5-7-19(18)33-3/h4-11H,12-15H2,1-3H3,(H,23,25,27)
• InChIKey: ZMQPACOVLLHWNI-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 123.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.61
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 41028039) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3SC)o2)cc1.

What is the InChIKey of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is ZMQPACOVLLHWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O6S2/c1-30-14-12-26(13-15-31-2)34(28,29)17-10-8-16(9-11-17)20(27)23-22-25-24-21(32-22)18-6-4-5-7-19(18)33-3/h4-11H,12-15H2,1-3H3,(H,23,25,27).

What are the key properties of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 506.61 g/mol, XLogP of 2.99, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(2-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 41028039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).