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

C16H27ClN2O3S — CID 119599904

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(=O)NC(C)(CN)CC(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-5-22(20,21)14-8-6-13(7-9-14)15(19)18-16(4,11-17)10-12(2)3;/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19);1H
InChIKeyQXXPBHYGRXGXCO-UHFFFAOYSA-N
MW362.92 g/mol
LogP2.40
Rot. Bonds7

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

N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride (PubChem CID 119599904) has the molecular formula C16H27ClN2O3S and a molecular weight of 362.92 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
PubChem CID119599904
Molecular FormulaC16H27ClN2O3S
Molecular Weight362.92 g/mol
Exact Mass362.14
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccc(C(=O)NC(C)(CN)CC(C)C)cc1.Cl
InChIInChI=1S/C16H26N2O3S.ClH/c1-5-22(20,21)14-8-6-13(7-9-14)15(19)18-16(4,11-17)10-12(2)3;/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19);1H
InChIKeyQXXPBHYGRXGXCO-UHFFFAOYSA-N
XLogP2.40
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.92
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-(sulfamoylmethyl)benzamide;hydrochloride
CID 119597620
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propylsulfonylamino)benzamide
CID 119598442
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-cyclopropylpropan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119575421
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 119597476
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119600106
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(propan-2-ylcarbamoylamino)benzamide;hydrochloride
CID 119599349

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride (CID 119599904) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride is CCS(=O)(=O)c1ccc(C(=O)NC(C)(CN)CC(C)C)cc1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride?
The InChIKey is QXXPBHYGRXGXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S.ClH/c1-5-22(20,21)14-8-6-13(7-9-14)15(19)18-16(4,11-17)10-12(2)3;/h6-9,12H,5,10-11,17H2,1-4H3,(H,18,19);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride has a molecular weight of 362.92 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 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-ethylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119599904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).