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

C18H17N3O5S — CID 55586968

IUPAC2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=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)
InChIKeyFKHWIBUWJWDRTH-UHFFFAOYSA-N
MW387.42 g/mol
LogP0.75
Rot. Bonds5

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 Name2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID55586968
Molecular FormulaC18H17N3O5S
Molecular Weight387.42 g/mol
Exact Mass387.09
IUPAC Name2-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCNS(=O)(=O)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)cc1
InChIInChI=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)
InChIKeyFKHWIBUWJWDRTH-UHFFFAOYSA-N
XLogP0.75
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 37216605
N-[(3-chlorophenyl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 51158730
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55858752
N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 56555119
2-methyl-N-[2-(methylamino)propyl]-1,3-dioxoisoindole-5-carboxamide
CID 120827153
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 48502422
4-(ethylsulfanylmethyl)-N-[[4-(methylsulfamoyl)phenyl]methyl]benzamide
CID 55909885
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222
N-benzyl-1,3-dioxo-2-propylisoindole-5-carboxamide
CID 3391897
N-[[4-(methylsulfamoyl)phenyl]methyl]-3-(pyrrolidin-1-ylmethyl)benzamide
CID 47517219
2-methyl-1,3-dioxo-N-prop-2-enylisoindole-5-carboxamide
CID 46679809
2-tert-butyl-N-[(4-carbamoylphenyl)methyl]-1,3-dioxoisoindole-5-carboxamide
CID 108766213

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).