N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide

C₁₇H₁₉BrN₂O₄S — CID 78784962

About N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide

N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide (PubChem CID 78784962) has the molecular formula C₁₇H₁₉BrN₂O₄S and a molecular weight of 427.32 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide.

Molecular Properties

• Compound Name: N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
• PubChem CID: 78784962
• Molecular Formula: C₁₇H₁₉BrN₂O₄S
• Molecular Weight: 427.32 g/mol
• Exact Mass: 426.02
• IUPAC Name: N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
• SMILES: CCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C)c2)cc1
• InChI: InChI=1S/C17H19BrN2O4S/c1-3-24-14-5-7-15(8-6-14)25(22,23)19-11-17(21)20-13-4-9-16(18)12(2)10-13/h4-10,19H,3,11H2,1-2H3,(H,20,21)
• InChIKey: LPEUYBBXBPHKHT-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 84.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.32
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?

The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide (CID 78784962) is N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide.

What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?

The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide is CCOc1ccc(S(=O)(=O)NCC(=O)Nc2ccc(Br)c(C)c2)cc1.

What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?

The InChIKey is LPEUYBBXBPHKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2O4S/c1-3-24-14-5-7-15(8-6-14)25(22,23)19-11-17(21)20-13-4-9-16(18)12(2)10-13/h4-10,19H,3,11H2,1-2H3,(H,20,21).

What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide?

N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide has a molecular weight of 427.32 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-bromo-3-methylphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 78784962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 78784962 — identifiers, structure, computed properties (public domain)

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