2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

C11H18BrClN2OS — CID 119507663

IUPAC2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)c1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-3-13-6-7-14-11(15)8(2)9-4-5-10(12)16-9;/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15);1H
InChIKeyWEYYPNDXWGDTDJ-UHFFFAOYSA-N
MW341.70 g/mol
LogP2.76
Rot. Bonds6

About 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (PubChem CID 119507663) has the molecular formula C11H18BrClN2OS and a molecular weight of 341.70 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
PubChem CID119507663
Molecular FormulaC11H18BrClN2OS
Molecular Weight341.70 g/mol
Exact Mass340.00
IUPAC Name2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)c1ccc(Br)s1.Cl
InChIInChI=1S/C11H17BrN2OS.ClH/c1-3-13-6-7-14-11(15)8(2)9-4-5-10(12)16-9;/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15);1H
InChIKeyWEYYPNDXWGDTDJ-UHFFFAOYSA-N
XLogP2.76
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119508438
2-(5-bromothiophen-2-yl)propanehydrazide
CID 116843844
2-(5-bromothiophen-2-yl)-N-(2-hydroxy-2,3-dimethylbutyl)propanamide
CID 111484349
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509523
2-(5-bromothiophen-2-yl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 111471124
2-(5-bromothiophen-2-yl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 71870124
5-[[2-(5-bromothiophen-2-yl)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 119226841
N-(1-amino-2,4-dimethylpentan-2-yl)-2-(5-bromothiophen-2-yl)propanamide;hydrochloride
CID 119599253
2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119388689
2-(5-bromothiophen-2-yl)-N-piperidin-4-ylpropanamide
CID 119388690
(2S)-2-(5-bromothiophen-2-yl)-N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propanamide
CID 99783386
2-[1-(5-bromothiophen-2-yl)ethylamino]-N-methylacetamide
CID 60999476

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (CID 119507663) is 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride is CCNCCNC(=O)C(C)c1ccc(Br)s1.Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The InChIKey is WEYYPNDXWGDTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2OS.ClH/c1-3-13-6-7-14-11(15)8(2)9-4-5-10(12)16-9;/h4-5,8,13H,3,6-7H2,1-2H3,(H,14,15);1H.
What are the key properties of 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride has a molecular weight of 341.70 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119507663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).