N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride

C14H24ClN3O3S — CID 119652729

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(CS(N)(=O)=O)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-14(2,9-15)10-17(3)13(18)12-6-4-11(5-7-12)8-21(16,19)20;/h4-7H,8-10,15H2,1-3H3,(H2,16,19,20);1H
InChIKeyIZRIBBLTMFBUBI-UHFFFAOYSA-N
MW349.88 g/mol
LogP0.95
Rot. Bonds6

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride

N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride (PubChem CID 119652729) has the molecular formula C14H24ClN3O3S and a molecular weight of 349.88 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
PubChem CID119652729
Molecular FormulaC14H24ClN3O3S
Molecular Weight349.88 g/mol
Exact Mass349.12
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(CS(N)(=O)=O)cc1.Cl
InChIInChI=1S/C14H23N3O3S.ClH/c1-14(2,9-15)10-17(3)13(18)12-6-4-11(5-7-12)8-21(16,19)20;/h4-7H,8-10,15H2,1-3H3,(H2,16,19,20);1H
InChIKeyIZRIBBLTMFBUBI-UHFFFAOYSA-N
XLogP0.95
TPSA106.49 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 ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propylsulfonylamino)benzamide;hydrochloride
CID 119654023
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-4-[2-(dimethylamino)-2-oxoethyl]sulfonyl-N-methylbenzamide
CID 119655900
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(propan-2-ylsulfamoyl)benzamide
CID 119656163
N-(3-amino-2,2-dimethylpropyl)-4-[(cyclopentanecarbonylamino)methyl]-N-methylbenzamide;hydrochloride
CID 119655210
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 119652718
N-(3-amino-2,2-dimethylpropyl)-N,6-dimethylpyridine-3-carboxamide
CID 79652120
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79652401
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxopyran-3-carboxamide
CID 79652485

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride (CID 119652729) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1ccc(CS(N)(=O)=O)cc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride?
The InChIKey is IZRIBBLTMFBUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.ClH/c1-14(2,9-15)10-17(3)13(18)12-6-4-11(5-7-12)8-21(16,19)20;/h4-7H,8-10,15H2,1-3H3,(H2,16,19,20);1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride has a molecular weight of 349.88 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-(sulfamoylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119652729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).