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

C27H30Cl2N2O3S — CID 94864272

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

2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (PubChem CID 94864272) has the molecular formula C27H30Cl2N2O3S and a molecular weight of 533.52 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
• PubChem CID: 94864272
• Molecular Formula: C27H30Cl2N2O3S
• Molecular Weight: 533.52 g/mol
• Exact Mass: 532.14
• IUPAC Name: 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
• SMILES: Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Cc2ccc(Cl)cc2Cl)cc1
• InChI: InChI=1S/C27H30Cl2N2O3S/c1-17-6-10-24(11-7-17)35(33,34)31(15-22-8-9-23(28)14-26(22)29)16-27(32)30-21(5)25-13-19(3)18(2)12-20(25)4/h6-14,21H,15-16H2,1-5H3,(H,30,32)/t21-/m0/s1
• InChIKey: LXOQSRKGIDYIJY-NRFANRHFSA-N
• XLogP: 6.30
• TPSA: 66.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.52
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide (CID 94864272) is 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide.

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

The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C)c2cc(C)c(C)cc2C)Cc2ccc(Cl)cc2Cl)cc1.

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

The InChIKey is LXOQSRKGIDYIJY-NRFANRHFSA-N. The full InChI is InChI=1S/C27H30Cl2N2O3S/c1-17-6-10-24(11-7-17)35(33,34)31(15-22-8-9-23(28)14-26(22)29)16-27(32)30-21(5)25-13-19(3)18(2)12-20(25)4/h6-14,21H,15-16H2,1-5H3,(H,30,32)/t21-/m0/s1.

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

2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide has a molecular weight of 533.52 g/mol, XLogP of 6.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide is sourced from PubChem (CID 94864272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).