2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide

C11H14Br3NO2S — CID 114263913

IUPAC2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide
SMILESCCN(CCOCCBr)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H14Br3NO2S/c1-2-15(4-6-17-5-3-12)11(16)8-7-9(13)18-10(8)14/h7H,2-6H2,1H3
InChIKeyQVDGHFPVXAFUOM-UHFFFAOYSA-N
MW464.02 g/mol
LogP4.15
Rot. Bonds7

About 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide

2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide (PubChem CID 114263913) has the molecular formula C11H14Br3NO2S and a molecular weight of 464.02 g/mol. Its IUPAC name is 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide
PubChem CID114263913
Molecular FormulaC11H14Br3NO2S
Molecular Weight464.02 g/mol
Exact Mass460.83
IUPAC Name2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide
SMILESCCN(CCOCCBr)C(=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H14Br3NO2S/c1-2-15(4-6-17-5-3-12)11(16)8-7-9(13)18-10(8)14/h7H,2-6H2,1H3
InChIKeyQVDGHFPVXAFUOM-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.02
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dibromo-N-(3-bromopropyl)-N-ethylthiophene-3-carboxamide
CID 107966256
2,5-dibromo-N,N-diethylthiophene-3-carboxamide
CID 103672324
N-[2-(2-bromoethoxy)ethyl]-2,4-dichloro-N-ethylbenzamide
CID 114263936
2,5-dibromo-N-ethyl-N-(2-ethylbutyl)thiophene-3-carboxamide
CID 114021292
5-bromo-N-ethyl-N-[2-(2-hydroxyethoxy)ethyl]thiophene-3-carboxamide
CID 114263702
2,5-dibromo-N-(2-bromoethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 107966465
N-(2-amino-2-sulfanylideneethyl)-2,5-dibromo-N-propylthiophene-3-carboxamide
CID 114021243
2,5-dibromo-N-(piperidin-3-ylmethyl)-N-propylthiophene-3-carboxamide
CID 107963808
1-(2,5-dibromothiophen-3-yl)-2-[ethyl(propyl)amino]ethanone
CID 43795311
2,4-dibromo-N-[2-(2-chloroethoxy)ethyl]-N-ethylbenzamide
CID 114263894
4-bromo-N-(2-ethoxyethyl)-N-ethyl-2-hydroxybenzamide
CID 63692169
2,5-dibromo-N-[3-(dimethylamino)propyl]-N-methylthiophene-3-carboxamide
CID 103918751

Frequently Asked Questions

What is the IUPAC name of 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide?
The IUPAC name of 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide (CID 114263913) is 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide.
What is the SMILES notation for 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide?
The canonical SMILES for 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide is CCN(CCOCCBr)C(=O)c1cc(Br)sc1Br.
What is the InChIKey of 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide?
The InChIKey is QVDGHFPVXAFUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Br3NO2S/c1-2-15(4-6-17-5-3-12)11(16)8-7-9(13)18-10(8)14/h7H,2-6H2,1H3.
What are the key properties of 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide?
2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide has a molecular weight of 464.02 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibromo-N-[2-(2-bromoethoxy)ethyl]-N-ethylthiophene-3-carboxamide is sourced from PubChem (CID 114263913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).