2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

C30H38N2O3S — CID 43906224

About 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide

2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 43906224) has the molecular formula C30H38N2O3S and a molecular weight of 506.71 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
• PubChem CID: 43906224
• Molecular Formula: C30H38N2O3S
• Molecular Weight: 506.71 g/mol
• Exact Mass: 506.26
• IUPAC Name: 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
• SMILES: Cc1ccc(CN(CC(=O)NC(C)c2cc(C)c(C)cc2C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1
• InChI: InChI=1S/C30H38N2O3S/c1-19-9-11-27(12-10-19)17-32(36(34,35)30-24(6)13-20(2)14-25(30)7)18-29(33)31-26(8)28-16-22(4)21(3)15-23(28)5/h9-16,26H,17-18H2,1-8H3,(H,31,33)
• InChIKey: YNGPHRFNWVHOSK-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.71
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?

The IUPAC name of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 43906224) is 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide.

What is the SMILES notation for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?

The canonical SMILES for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1ccc(CN(CC(=O)NC(C)c2cc(C)c(C)cc2C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1.

What is the InChIKey of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?

The InChIKey is YNGPHRFNWVHOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O3S/c1-19-9-11-27(12-10-19)17-32(36(34,35)30-24(6)13-20(2)14-25(30)7)18-29(33)31-26(8)28-16-22(4)21(3)15-23(28)5/h9-16,26H,17-18H2,1-8H3,(H,31,33).

What are the key properties of 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide?

2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 506.71 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methylphenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 43906224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).