5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride

C9H14BrClN2OS — CID 119508438

IUPAC5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C9H13BrN2OS.ClH/c1-2-11-5-6-12-9(13)7-3-4-8(10)14-7;/h3-4,11H,2,5-6H2,1H3,(H,12,13);1H
InChIKeyVBRMRLVPIIZWQN-UHFFFAOYSA-N
MW313.65 g/mol
LogP2.27
Rot. Bonds5

About 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride

5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride (PubChem CID 119508438) has the molecular formula C9H14BrClN2OS and a molecular weight of 313.65 g/mol. Its IUPAC name is 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
PubChem CID119508438
Molecular FormulaC9H14BrClN2OS
Molecular Weight313.65 g/mol
Exact Mass311.97
IUPAC Name5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride
SMILESCCNCCNC(=O)c1ccc(Br)s1.Cl
InChIInChI=1S/C9H13BrN2OS.ClH/c1-2-11-5-6-12-9(13)7-3-4-8(10)14-7;/h3-4,11H,2,5-6H2,1H3,(H,12,13);1H
InChIKeyVBRMRLVPIIZWQN-UHFFFAOYSA-N
XLogP2.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.65
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[2-(ethylamino)ethyl]thiophene-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

2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]acetamide
CID 119509523
N-(3-aminobutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119498604
2-(5-bromothiophen-2-yl)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119507663
N-[2-(ethylamino)ethyl]thiophene-2-carboxamide
CID 62657845
N-(2-amino-2-ethylbutyl)-5-bromothiophene-2-carboxamide;hydrochloride
CID 119642989
5-bromo-N-[(E)-pent-3-enyl]thiophene-2-carboxamide
CID 115627914
5-bromo-N-[2-(cyclopropanecarbonylamino)ethyl]thiophene-2-carboxamide
CID 47098978
5-bromo-N-[2-[ethyl(propyl)amino]ethyl]thiophene-2-carboxamide
CID 103719320
5-bromo-N-(2-ethylbutyl)thiophene-2-carboxamide
CID 84545370
5-bromo-N-(2-pyrazol-1-ylethyl)thiophene-2-carboxamide
CID 55139382
5-bromo-N-(3-methylsulfinylbutyl)thiophene-2-carboxamide
CID 115729394
5-bromo-N-[2-(ethoxyamino)-2-oxoethyl]thiophene-2-carboxamide
CID 47266709

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The IUPAC name of 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride (CID 119508438) is 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The canonical SMILES for 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride is CCNCCNC(=O)c1ccc(Br)s1.Cl.
What is the InChIKey of 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
The InChIKey is VBRMRLVPIIZWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2OS.ClH/c1-2-11-5-6-12-9(13)7-3-4-8(10)14-7;/h3-4,11H,2,5-6H2,1H3,(H,12,13);1H.
What are the key properties of 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride?
5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride has a molecular weight of 313.65 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(ethylamino)ethyl]thiophene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119508438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).