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

C20H19N3O5S — CID 41363949

IUPAC4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)cc2C1=O
InChIInChI=1S/C20H19N3O5S/c1-22-19(25)16-10-5-13(11-17(16)20(22)26)21-18(24)12-3-8-15(9-4-12)29(27,28)23(2)14-6-7-14/h3-5,8-11,14H,6-7H2,1-2H3,(H,21,24)
InChIKeyQSSIKOCRWKZDSV-UHFFFAOYSA-N
MW413.46 g/mol
LogP1.95
Rot. Bonds5

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

4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (PubChem CID 41363949) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is 4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.

Molecular Properties

Compound Name4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
PubChem CID41363949
Molecular FormulaC20H19N3O5S
Molecular Weight413.46 g/mol
Exact Mass413.10
IUPAC Name4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
SMILESCN1C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)cc2C1=O
InChIInChI=1S/C20H19N3O5S/c1-22-19(25)16-10-5-13(11-17(16)20(22)26)21-18(24)12-3-8-15(9-4-12)29(27,28)23(2)14-6-7-14/h3-5,8-11,14H,6-7H2,1-2H3,(H,21,24)
InChIKeyQSSIKOCRWKZDSV-UHFFFAOYSA-N
XLogP1.95
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.46
LogP ≤ 51.95
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-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55333038
4-[cyclohexyl(ethyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41149330
N-(2-methyl-1,3-dioxoisoindol-5-yl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 31508567
4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 41209438
4-[cyclopropyl(methyl)sulfamoyl]-N-(3,5-dimethylphenyl)benzamide
CID 41364081
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 4295419
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4071661
3,4-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 5303031
3,5-dichloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide
CID 3479258
N-(1,3-dioxoisoindol-5-yl)-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 44993145

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The IUPAC name of 4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide (CID 41363949) is 4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide.
What is the SMILES notation for 4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The canonical SMILES for 4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is CN1C(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)cc2C1=O.
What is the InChIKey of 4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
The InChIKey is QSSIKOCRWKZDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c1-22-19(25)16-10-5-13(11-17(16)20(22)26)21-18(24)12-3-8-15(9-4-12)29(27,28)23(2)14-6-7-14/h3-5,8-11,14H,6-7H2,1-2H3,(H,21,24).
What are the key properties of 4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide?
4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide has a molecular weight of 413.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(methyl)sulfamoyl]-N-(2-methyl-1,3-dioxoisoindol-5-yl)benzamide is sourced from PubChem (CID 41363949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).