N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

C24H21N3O5S — CID 31508567

IUPACN-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1
InChIInChI=1S/C24H21N3O5S/c1-15-4-11-19(12-5-15)33(31,32)27(3)18-9-6-16(7-10-18)22(28)25-17-8-13-20-21(14-17)24(30)26(2)23(20)29/h4-14H,1-3H3,(H,25,28)
InChIKeyZGTHNIVSCXUMHG-UHFFFAOYSA-N
MW463.52 g/mol
LogP3.30
Rot. Bonds5

About N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide

N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 31508567) has the molecular formula C24H21N3O5S and a molecular weight of 463.52 g/mol. Its IUPAC name is N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
PubChem CID31508567
Molecular FormulaC24H21N3O5S
Molecular Weight463.52 g/mol
Exact Mass463.12
IUPAC NameN-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1
InChIInChI=1S/C24H21N3O5S/c1-15-4-11-19(12-5-15)33(31,32)27(3)18-9-6-16(7-10-18)22(28)25-17-8-13-20-21(14-17)24(30)26(2)23(20)29/h4-14H,1-3H3,(H,25,28)
InChIKeyZGTHNIVSCXUMHG-UHFFFAOYSA-N
XLogP3.30
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.52
LogP ≤ 53.30
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

4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41363949
N-(3,4-difluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 1294762
4-methyl-N-[4-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 1226832
N-(3-hydroxyphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 78783187
N-(3-fluorophenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 9412389
N,N-diethyl-4-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 26899681
4-[methyl-(4-methylphenyl)sulfonylamino]-N-pyridin-3-ylbenzamide
CID 1210805
4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41149330
N-[4-(cyclopropylcarbamoylamino)phenyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55532553
4-methyl-N-[4-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]phenyl]benzamide
CID 153454442
4-[methyl-(4-methylphenyl)sulfonylamino]-N-(5-methyl-2-pyridinyl)benzamide
CID 18106775
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethylphenyl)benzamide
CID 5200570

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide (CID 31508567) is N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc2)cc1.
What is the InChIKey of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is ZGTHNIVSCXUMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5S/c1-15-4-11-19(12-5-15)33(31,32)27(3)18-9-6-16(7-10-18)22(28)25-17-8-13-20-21(14-17)24(30)26(2)23(20)29/h4-14H,1-3H3,(H,25,28).
What are the key properties of N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide?
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 463.52 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 31508567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).