2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide

C₁₈H₁₇N₃O₅S — CID 55586968

About 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide

2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55586968) has the molecular formula C₁₈H₁₇N₃O₅S and a molecular weight of 387.42 g/mol. Its IUPAC name is 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
• PubChem CID: 55586968
• Molecular Formula: C₁₈H₁₇N₃O₅S
• Molecular Weight: 387.42 g/mol
• Exact Mass: 387.09
• IUPAC Name: 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
• SMILES: CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1
• InChI: InChI=1S/C18H17N3O5S/c1-19-27(25,26)13-6-3-11(4-7-13)10-20-16(22)12-5-8-14-15(9-12)18(24)21(2)17(14)23/h3-9,19H,10H2,1-2H3,(H,20,22)
• InChIKey: FKHWIBUWJWDRTH-UHFFFAOYSA-N
• XLogP: 0.75
• TPSA: 112.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.42
LogP ≤ 5	0.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The IUPAC name of 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide (CID 55586968) is 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide.

What is the SMILES notation for 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The canonical SMILES for 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide is CNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1.

What is the InChIKey of 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?

The InChIKey is FKHWIBUWJWDRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O5S/c1-19-27(25,26)13-6-3-11(4-7-13)10-20-16(22)12-5-8-14-15(9-12)18(24)21(2)17(14)23/h3-9,19H,10H2,1-2H3,(H,20,22).

What are the key properties of 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?

2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55586968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 55586968 — identifiers, structure, computed properties (public domain)

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