2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

C31H32N2O4S — CID 17247458

About 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 17247458) has the molecular formula C31H32N2O4S and a molecular weight of 528.67 g/mol. Its IUPAC name is 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
• PubChem CID: 17247458
• Molecular Formula: C31H32N2O4S
• Molecular Weight: 528.67 g/mol
• Exact Mass: 528.21
• IUPAC Name: 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
• SMILES: Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1
• InChI: InChI=1S/C31H32N2O4S/c1-22-10-16-29(17-11-22)38(35,36)33(20-26-8-6-5-7-9-26)27-12-14-28(15-13-27)37-21-30(34)32-31-24(3)18-23(2)19-25(31)4/h5-19H,20-21H2,1-4H3,(H,32,34)
• InChIKey: XZIDVJDVRWOOKM-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.67
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide (CID 17247458) is 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide.

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

The canonical SMILES for 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccc(OCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1.

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

The InChIKey is XZIDVJDVRWOOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2O4S/c1-22-10-16-29(17-11-22)38(35,36)33(20-26-8-6-5-7-9-26)27-12-14-28(15-13-27)37-21-30(34)32-31-24(3)18-23(2)19-25(31)4/h5-19H,20-21H2,1-4H3,(H,32,34).

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

2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 528.67 g/mol, XLogP of 6.33, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 17247458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).