2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide

C25H23N3O5S — CID 31941901

IUPAC2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C25H23N3O5S/c1-26-34(32,33)16-20-10-6-5-9-19(20)14-27-23(29)18-11-12-21-22(13-18)25(31)28(24(21)30)15-17-7-3-2-4-8-17/h2-13,26H,14-16H2,1H3,(H,27,29)
InChIKeySQWHSHUACYWCFE-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.46
Rot. Bonds8

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

2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 31941901) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID31941901
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O
InChIInChI=1S/C25H23N3O5S/c1-26-34(32,33)16-20-10-6-5-9-19(20)14-27-23(29)18-11-12-21-22(13-18)25(31)28(24(21)30)15-17-7-3-2-4-8-17/h2-13,26H,14-16H2,1H3,(H,27,29)
InChIKeySQWHSHUACYWCFE-UHFFFAOYSA-N
XLogP2.46
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide (CID 31941901) is 2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide is CNS(=O)(=O)Cc1ccccc1CNC(=O)c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is SQWHSHUACYWCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-26-34(32,33)16-20-10-6-5-9-19(20)14-27-23(29)18-11-12-21-22(13-18)25(31)28(24(21)30)15-17-7-3-2-4-8-17/h2-13,26H,14-16H2,1H3,(H,27,29).
What are the key properties of 2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide?
2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 31941901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).