N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride

C14H24BrClN2OS — CID 119599253

IUPACN-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)C(C)c1ccc(Br)s1.Cl
InChIInChI=1S/C14H23BrN2OS.ClH/c1-9(2)7-14(4,8-16)17-13(18)10(3)11-5-6-12(15)19-11;/h5-6,9-10H,7-8,16H2,1-4H3,(H,17,18);1H
InChIKeyZHKNMYGHRKVWMO-UHFFFAOYSA-N
MW383.78 g/mol
LogP3.92
Rot. Bonds6

About N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride (PubChem CID 119599253) has the molecular formula C14H24BrClN2OS and a molecular weight of 383.78 g/mol. Its IUPAC name is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride
PubChem CID119599253
Molecular FormulaC14H24BrClN2OS
Molecular Weight383.78 g/mol
Exact Mass382.05
IUPAC NameN-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride
SMILESCC(C)CC(C)(CN)NC(=O)C(C)c1ccc(Br)s1.Cl
InChIInChI=1S/C14H23BrN2OS.ClH/c1-9(2)7-14(4,8-16)17-13(18)10(3)11-5-6-12(15)19-11;/h5-6,9-10H,7-8,16H2,1-4H3,(H,17,18);1H
InChIKeyZHKNMYGHRKVWMO-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.78
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)propanehydrazide
CID 116843844
N-(1-amino-2,4-dimethylpentan-2-yl)-2,5-dibromothiophene-3-carboxamide
CID 103807196
N-(1-amino-2,4-dimethylpentan-2-yl)-2-methylbutanamide;hydrochloride
CID 119597381
2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(2-bromophenyl)acetamide
CID 119599373
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-methylphenoxy)propanamide
CID 119598988
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507663
N-(1-amino-2,4-dimethylpentan-2-yl)-3-(4-bromophenyl)propanamide;hydrochloride
CID 119599640
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(4-aminophenyl)acetamide
CID 122080678
N-(1-amino-2,4-dimethylpentan-2-yl)-2-phenylbutanamide
CID 115309768
N-(1-amino-2,4-dimethylpentan-2-yl)-4-bromo-2-methylbenzamide;hydrochloride
CID 119598613
N-(1-amino-2,4-dimethylpentan-2-yl)pyridine-4-carboxamide;dihydrochloride
CID 119598163

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride (CID 119599253) is N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride is CC(C)CC(C)(CN)NC(=O)C(C)c1ccc(Br)s1.Cl.
What is the InChIKey of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride?
The InChIKey is ZHKNMYGHRKVWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN2OS.ClH/c1-9(2)7-14(4,8-16)17-13(18)10(3)11-5-6-12(15)19-11;/h5-6,9-10H,7-8,16H2,1-4H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride?
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride has a molecular weight of 383.78 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119599253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).