5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide

C₂₀H₂₅N₃O₅S — CID 60566565

About 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide

5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide (PubChem CID 60566565) has the molecular formula C₂₀H₂₅N₃O₅S and a molecular weight of 419.50 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide.

Molecular Properties

• Compound Name: 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide
• PubChem CID: 60566565
• Molecular Formula: C₂₀H₂₅N₃O₅S
• Molecular Weight: 419.50 g/mol
• Exact Mass: 419.15
• IUPAC Name: 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide
• SMILES: CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1
• InChI: InChI=1S/C20H25N3O5S/c1-4-22(5-2)29(27,28)18-11-6-15(3)19(14-18)20(24)21-13-12-16-7-9-17(10-8-16)23(25)26/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24)
• InChIKey: IGDJJWZAJPZFSK-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 109.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.50
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide?

The IUPAC name of 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide (CID 60566565) is 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide.

What is the SMILES notation for 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide?

The canonical SMILES for 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCc2ccc([N+](=O)[O-])cc2)c1.

What is the InChIKey of 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide?

The InChIKey is IGDJJWZAJPZFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5S/c1-4-22(5-2)29(27,28)18-11-6-15(3)19(14-18)20(24)21-13-12-16-7-9-17(10-8-16)23(25)26/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,24).

What are the key properties of 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide?

5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide has a molecular weight of 419.50 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(diethylsulfamoyl)-2-methyl-N-[2-(4-nitrophenyl)ethyl]benzamide is sourced from PubChem (CID 60566565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 60566565 — identifiers, structure, computed properties (public domain)

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