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

C22H26N4O6S2 — CID 41028147

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 41028147) 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-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 41028147
• Molecular Formula: C22H26N4O6S2
• Molecular Weight: 506.61 g/mol
• Exact Mass: 506.13
• IUPAC Name: 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1
• InChI: InChI=1S/C22H26N4O6S2/c1-30-13-11-26(12-14-31-2)34(28,29)19-9-7-16(8-10-19)20(27)23-22-25-24-21(32-22)17-5-4-6-18(15-17)33-3/h4-10,15H,11-14H2,1-3H3,(H,23,25,27)
• InChIKey: MWONEBSWGRMHPW-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-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 41028147) is 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

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

The canonical SMILES for 4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(SC)c3)o2)cc1.

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

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

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

4-[bis(2-methoxyethyl)sulfamoyl]-N-[5-(3-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-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 41028147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).