2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide

C25H23N3O5S — CID 55985232

IUPAC2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4S(=O)(=O)N(C)C)cc3C2=O)c1
InChIInChI=1S/C25H23N3O5S/c1-15-9-10-16(2)21(13-15)28-24(30)18-12-11-17(14-19(18)25(28)31)23(29)26-20-7-5-6-8-22(20)34(32,33)27(3)4/h5-14H,1-4H3,(H,26,29)
InChIKeyKNHYDWKXWNOACV-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.61
Rot. Bonds5

About 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide

2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide (PubChem CID 55985232) has the molecular formula C25H23N3O5S and a molecular weight of 477.54 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
PubChem CID55985232
Molecular FormulaC25H23N3O5S
Molecular Weight477.54 g/mol
Exact Mass477.14
IUPAC Name2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide
SMILESCc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4S(=O)(=O)N(C)C)cc3C2=O)c1
InChIInChI=1S/C25H23N3O5S/c1-15-9-10-16(2)21(13-15)28-24(30)18-12-11-17(14-19(18)25(28)31)23(29)26-20-7-5-6-8-22(20)34(32,33)27(3)4/h5-14H,1-4H3,(H,26,29)
InChIKeyKNHYDWKXWNOACV-UHFFFAOYSA-N
XLogP3.61
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylsulfamoyl)phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55985101
N-(2,4-dichlorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26720485
N-(2,5-difluorophenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 26360335
2-(2,5-dimethylphenyl)-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 3639161
N-(2-amino-2-methylpropyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119630318
2-(2,5-dimethylphenyl)-N-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 40589292
N-(4-carbamoyl-3-methylphenyl)-2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 56518238
methyl 2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carboxylate
CID 823424
N-(5-fluoro-2-methylphenyl)-2-(2-methylphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 7961430
2-(2,5-dimethylphenyl)-1,3-dioxo-N-[4-(pyridin-4-ylmethyl)phenyl]isoindole-5-carboxamide
CID 112800408
2-(2,5-dimethylphenyl)-N-[2-(methylamino)ethyl]-1,3-dioxoisoindole-5-carboxamide;hydrochloride
CID 119504031
5-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]-2-methylisoindole-1,3-dione
CID 140839777

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide (CID 55985232) is 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide is Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)Nc4ccccc4S(=O)(=O)N(C)C)cc3C2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is KNHYDWKXWNOACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5S/c1-15-9-10-16(2)21(13-15)28-24(30)18-12-11-17(14-19(18)25(28)31)23(29)26-20-7-5-6-8-22(20)34(32,33)27(3)4/h5-14H,1-4H3,(H,26,29).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide?
2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[2-(dimethylsulfamoyl)phenyl]-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 55985232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).