N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride

C15H26ClN3O3S — CID 119597620

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(CS(N)(=O)=O)cc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-11(2)8-15(3,10-16)18-14(19)13-6-4-12(5-7-13)9-22(17,20)21;/h4-7,11H,8-10,16H2,1-3H3,(H,18,19)(H2,17,20,21);1H
InChIKeyCXBNOLIAYJQBEM-UHFFFAOYSA-N
MW363.91 g/mol
LogP1.39
Rot. Bonds7

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride (PubChem CID 119597620) has the molecular formula C15H26ClN3O3S and a molecular weight of 363.91 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
PubChem CID119597620
Molecular FormulaC15H26ClN3O3S
Molecular Weight363.91 g/mol
Exact Mass363.14
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(CS(N)(=O)=O)cc1.Cl
InChIInChI=1S/C15H25N3O3S.ClH/c1-11(2)8-15(3,10-16)18-14(19)13-6-4-12(5-7-13)9-22(17,20)21;/h4-7,11H,8-10,16H2,1-3H3,(H,18,19)(H2,17,20,21);1H
InChIKeyCXBNOLIAYJQBEM-UHFFFAOYSA-N
XLogP1.39
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.91
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
CID 81486139
N-(1-amino-2,4-dimethylpentan-2-yl)-4-propan-2-ylbenzamide;hydrochloride
CID 119600058
N-(1-amino-2,4-dimethylpentan-2-yl)-4-fluorobenzamide;hydrochloride
CID 119599305
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfanylbenzamide;hydrochloride
CID 119597507
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
N-(1-amino-2,4-dimethylpentan-2-yl)-4-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119598107
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
CID 119598442
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-3-fluorobenzamide;hydrochloride
CID 119597808
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119599349
N-(1-amino-2,4-dimethylpentan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119600055
N-(1-amino-2,4-dimethylpentan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119598585

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride (CID 119597620) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)c1ccc(CS(N)(=O)=O)cc1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride?
The InChIKey is CXBNOLIAYJQBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S.ClH/c1-11(2)8-15(3,10-16)18-14(19)13-6-4-12(5-7-13)9-22(17,20)21;/h4-7,11H,8-10,16H2,1-3H3,(H,18,19)(H2,17,20,21);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride has a molecular weight of 363.91 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-4-(sulfamoylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119597620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).