N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride

C14H23ClN2O4S — CID 119997074

IUPACN-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCOc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-11(9-15)10-16-14(17)7-8-20-12-3-5-13(6-4-12)21(2,18)19;/h3-6,11H,7-10,15H2,1-2H3,(H,16,17);1H
InChIKeyLXOKZYBAPUCGIH-UHFFFAOYSA-N
MW350.87 g/mol
LogP0.99
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride

N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride (PubChem CID 119997074) has the molecular formula C14H23ClN2O4S and a molecular weight of 350.87 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
PubChem CID119997074
Molecular FormulaC14H23ClN2O4S
Molecular Weight350.87 g/mol
Exact Mass350.11
IUPAC NameN-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
SMILESCC(CN)CNC(=O)CCOc1ccc(S(C)(=O)=O)cc1.Cl
InChIInChI=1S/C14H22N2O4S.ClH/c1-11(9-15)10-16-14(17)7-8-20-12-3-5-13(6-4-12)21(2,18)19;/h3-6,11H,7-10,15H2,1-2H3,(H,16,17);1H
InChIKeyLXOKZYBAPUCGIH-UHFFFAOYSA-N
XLogP0.99
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.87
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-amino-2-methylpropyl)-3-phenoxypropanamide;hydrochloride
CID 119996875
N-(3-amino-2-methylpropyl)-3-(4-fluorophenoxy)propanamide
CID 119995301
N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride
CID 119549391
N-[2-(4-aminophenyl)ethyl]-3-(4-methylsulfonylphenoxy)propanamide
CID 119549392
3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630
N-[(2S)-3-methylbutan-2-yl]-4-(4-methylsulfonylphenoxy)butanamide
CID 94813249
2-methyl-3-(methylamino)-N-[2-(4-methylsulfonylphenoxy)ethyl]propanamide
CID 119777480
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
CID 66109025
N-[(3R)-2-methylpentan-3-yl]-4-(4-methylsulfonylphenoxy)butanamide
CID 95149631
N-(2-aminopropyl)-3-(4-fluorophenoxy)propanamide
CID 110834214
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
4-[4-(4-methylsulfonylphenoxy)butanoylamino]butanoic acid
CID 119170534

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride (CID 119997074) is N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride is CC(CN)CNC(=O)CCOc1ccc(S(C)(=O)=O)cc1.Cl.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride?
The InChIKey is LXOKZYBAPUCGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S.ClH/c1-11(9-15)10-16-14(17)7-8-20-12-3-5-13(6-4-12)21(2,18)19;/h3-6,11H,7-10,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride?
N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride has a molecular weight of 350.87 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-(4-methylsulfonylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119997074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).