N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide

C15H24N2O3S — CID 81486139

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)9-15(3,10-16)17-14(18)12-5-7-13(8-6-12)21(4,19)20/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyZRNFMFQXEWFNFZ-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.58
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide

N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide (PubChem CID 81486139) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
PubChem CID81486139
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide
SMILESCC(C)CC(C)(CN)NC(=O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H24N2O3S/c1-11(2)9-15(3,10-16)17-14(18)12-5-7-13(8-6-12)21(4,19)20/h5-8,11H,9-10,16H2,1-4H3,(H,17,18)
InChIKeyZRNFMFQXEWFNFZ-UHFFFAOYSA-N
XLogP1.58
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-2,4-dimethylpentan-2-yl)-4-ethylsulfonylbenzamide;hydrochloride
CID 119599904
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methylsulfonylbenzamide;hydrochloride
CID 119599708
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)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 119597476
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163
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-[(2,2-dimethylpropanoylamino)methyl]benzamide
CID 119598107
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 119597958

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide (CID 81486139) is N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide is CC(C)CC(C)(CN)NC(=O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide?
The InChIKey is ZRNFMFQXEWFNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-11(2)9-15(3,10-16)17-14(18)12-5-7-13(8-6-12)21(4,19)20/h5-8,11H,9-10,16H2,1-4H3,(H,17,18).
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide?
N-(1-amino-2,4-dimethylpentan-2-yl)-4-methylsulfonylbenzamide has a molecular weight of 312.44 g/mol, XLogP of 1.58, 6 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-methylsulfonylbenzamide is sourced from PubChem (CID 81486139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).