2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

C27H31ClN2O4S — CID 28546562

About 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide

2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 28546562) has the molecular formula C27H31ClN2O4S and a molecular weight of 515.08 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
• PubChem CID: 28546562
• Molecular Formula: C27H31ClN2O4S
• Molecular Weight: 515.08 g/mol
• Exact Mass: 514.17
• IUPAC Name: 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
• SMILES: COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C
• InChI: InChI=1S/C27H31ClN2O4S/c1-18-14-19(2)27(20(3)15-18)35(32,33)30(16-22-10-12-23(28)13-11-22)17-26(31)29-21(4)24-8-6-7-9-25(24)34-5/h6-15,21H,16-17H2,1-5H3,(H,29,31)/t21-/m0/s1
• InChIKey: SDNYRWLTBJPWGC-NRFANRHFSA-N
• XLogP: 5.34
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.08
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide (CID 28546562) is 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide.

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

The canonical SMILES for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1[C@H](C)NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1c(C)cc(C)cc1C.

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

The InChIKey is SDNYRWLTBJPWGC-NRFANRHFSA-N. The full InChI is InChI=1S/C27H31ClN2O4S/c1-18-14-19(2)27(20(3)15-18)35(32,33)30(16-22-10-12-23(28)13-11-22)17-26(31)29-21(4)24-8-6-7-9-25(24)34-5/h6-15,21H,16-17H2,1-5H3,(H,29,31)/t21-/m0/s1.

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

2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 515.08 g/mol, XLogP of 5.34, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenyl)methyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 28546562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).