2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide

C26H31N3O5S2 — CID 28561338

About 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide

2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide (PubChem CID 28561338) has the molecular formula C26H31N3O5S2 and a molecular weight of 529.68 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
• PubChem CID: 28561338
• Molecular Formula: C26H31N3O5S2
• Molecular Weight: 529.68 g/mol
• Exact Mass: 529.17
• IUPAC Name: 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide
• SMILES: Cc1ccc(CN(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
• InChI: InChI=1S/C26H31N3O5S2/c1-18-5-7-23(8-6-18)16-29(36(33,34)26-20(3)13-19(2)14-21(26)4)17-25(30)28-15-22-9-11-24(12-10-22)35(27,31)32/h5-14H,15-17H2,1-4H3,(H,28,30)(H2,27,31,32)
• InChIKey: QOCSYTQSUWSRSI-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 126.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.68
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide?

The IUPAC name of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide (CID 28561338) is 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide.

What is the SMILES notation for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide?

The canonical SMILES for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide is Cc1ccc(CN(CC(=O)NCc2ccc(S(N)(=O)=O)cc2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.

What is the InChIKey of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide?

The InChIKey is QOCSYTQSUWSRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O5S2/c1-18-5-7-23(8-6-18)16-29(36(33,34)26-20(3)13-19(2)14-21(26)4)17-25(30)28-15-22-9-11-24(12-10-22)35(27,31)32/h5-14H,15-17H2,1-4H3,(H,28,30)(H2,27,31,32).

What are the key properties of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide?

2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide has a molecular weight of 529.68 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(4-sulfamoylphenyl)methyl]acetamide is sourced from PubChem (CID 28561338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).