N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride

C11H18BrClN2OS — CID 119642989

IUPACN-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-3-11(13,4-2)7-14-10(15)8-5-6-9(12)16-8;/h5-6H,3-4,7,13H2,1-2H3,(H,14,15);1H
InChIKeyZNDDWHRBFDQEMZ-UHFFFAOYSA-N
MW341.70 g/mol
LogP3.18
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride (PubChem CID 119642989) has the molecular formula C11H18BrClN2OS and a molecular weight of 341.70 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
PubChem CID119642989
Molecular FormulaC11H18BrClN2OS
Molecular Weight341.70 g/mol
Exact Mass340.00
IUPAC NameN-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-3-11(13,4-2)7-14-10(15)8-5-6-9(12)16-8;/h5-6H,3-4,7,13H2,1-2H3,(H,14,15);1H
InChIKeyZNDDWHRBFDQEMZ-UHFFFAOYSA-N
XLogP3.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;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-(2-amino-2-ethylbutyl)-5-methylthiophene-2-carboxamide
CID 81484281
N-[2-[(2-amino-2-ethylbutyl)amino]-2-oxoethyl]-5-bromo-N-methylthiophene-2-carboxamide
CID 119640733
N-(2-amino-2-ethylbutyl)thiophene-2-carboxamide;hydrochloride
CID 119640167
N-(2-amino-2-ethylbutyl)-5-(benzenesulfonyl)thiophene-2-carboxamide;hydrochloride
CID 119640113
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
5-bromo-N-[3-(dimethylamino)-2,2-dimethylpropyl]thiophene-2-carboxamide
CID 60628788
5-bromo-N-(3-bromo-2-methylpropyl)thiophene-2-carboxamide
CID 114313311
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
5-bromo-N-[3-(hydroxymethyl)pentan-3-yl]thiophene-2-carboxamide
CID 55209143
5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
CID 47266709
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-carboxamide
CID 81485162

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride (CID 119642989) is N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride?
The InChIKey is ZNDDWHRBFDQEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS.ClH/c1-3-11(13,4-2)7-14-10(15)8-5-6-9(12)16-8;/h5-6H,3-4,7,13H2,1-2H3,(H,14,15);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride has a molecular weight of 341.70 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119642989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).