N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride

C14H24ClN3O3S — CID 119584451

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)C(C)CN)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-10(2)16-21(19,20)13-7-5-12(6-8-13)14(18)17(4)11(3)9-15;/h5-8,10-11,16H,9,15H2,1-4H3;1H
InChIKeyCQMBMASYMNKLSL-UHFFFAOYSA-N
MW349.88 g/mol
LogP1.21
Rot. Bonds6

About N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride

N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride (PubChem CID 119584451) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
PubChem CID119584451
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride
SMILESCC(C)NS(=O)(=O)c1ccc(C(=O)N(C)C(C)CN)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-10(2)16-21(19,20)13-7-5-12(6-8-13)14(18)17(4)11(3)9-15;/h5-8,10-11,16H,9,15H2,1-4H3;1H
InChIKeyCQMBMASYMNKLSL-UHFFFAOYSA-N
XLogP1.21
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.88
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-4-(butan-2-ylsulfamoyl)-N-methylbenzamide
CID 119584388
N-(1-aminopropan-2-yl)-4-[(4-ethoxyphenyl)sulfonylamino]-N-methylbenzamide;hydrochloride
CID 119584302
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 119656163
N-(1-aminopropan-2-yl)-4-(dipropylsulfamoyl)-N-methylbenzamide
CID 119581442
N-methyl-N-[1-(4-methylphenyl)ethyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 134054323
N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 86926868
N-(1-aminopropan-2-yl)-N-methyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 119583533
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
4-propanoyl-N-propan-2-ylbenzenesulfonamide
CID 70931286
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120712524
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 55580213

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride (CID 119584451) is N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride is CC(C)NS(=O)(=O)c1ccc(C(=O)N(C)C(C)CN)cc1.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
The InChIKey is CQMBMASYMNKLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-10(2)16-21(19,20)13-7-5-12(6-8-13)14(18)17(4)11(3)9-15;/h5-8,10-11,16H,9,15H2,1-4H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride?
N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide;hydrochloride is sourced from PubChem (CID 119584451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).