4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide

C9H10Br3NO2S — CID 114309271

IUPAC4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCOCCBr)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H10Br3NO2S/c10-1-3-15-4-2-13-9(14)7-5-6(11)8(12)16-7/h5H,1-4H2,(H,13,14)
InChIKeyJFKRWCPSZMMBDJ-UHFFFAOYSA-N
MW435.96 g/mol
LogP3.41
Rot. Bonds6

About 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide

4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide (PubChem CID 114309271) has the molecular formula C9H10Br3NO2S and a molecular weight of 435.96 g/mol. Its IUPAC name is 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
PubChem CID114309271
Molecular FormulaC9H10Br3NO2S
Molecular Weight435.96 g/mol
Exact Mass432.80
IUPAC Name4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCOCCBr)c1cc(Br)c(Br)s1
InChIInChI=1S/C9H10Br3NO2S/c10-1-3-15-4-2-13-9(14)7-5-6(11)8(12)16-7/h5H,1-4H2,(H,13,14)
InChIKeyJFKRWCPSZMMBDJ-UHFFFAOYSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 53.41
H-Bond Donors ≤ 51
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

4,5-dibromo-N-[2-(2,2-difluoroethoxy)ethyl]thiophene-2-carboxamide
CID 103082371
4,5-dibromo-N-(3-butoxypropyl)thiophene-2-carboxamide
CID 27682675
4,5-dibromo-N-[2-(2-methoxyethylamino)ethyl]thiophene-2-carboxamide
CID 82994332
5-bromo-N-[2-(2-methoxyethoxy)ethyl]-4-methylthiophene-2-carboxamide
CID 79965145
4,5-dibromo-N-(2-cyclopropylethyl)thiophene-2-carboxamide
CID 79036871
4,5-dibromo-N-butylthiophene-2-carboxamide
CID 29203844
N-(3-aminopropyl)-4,5-dibromothiophene-2-carboxamide
CID 80537023
4,5-dibromo-N-(3,3-dimethylbutyl)thiophene-2-carboxamide
CID 38983446
4,5-dibromo-N-(2-bromoprop-2-enyl)thiophene-2-carboxamide
CID 47439346
5-[(4,5-dibromothiophene-2-carbonyl)amino]pentanoic acid
CID 62033410
4,5-dibromo-N-decylthiophene-2-carboxamide
CID 80536454
4,5-dibromo-N-(2-phenylethyl)thiophene-2-carboxamide
CID 19205118

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide (CID 114309271) is 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide is O=C(NCCOCCBr)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide?
The InChIKey is JFKRWCPSZMMBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br3NO2S/c10-1-3-15-4-2-13-9(14)7-5-6(11)8(12)16-7/h5H,1-4H2,(H,13,14).
What are the key properties of 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide?
4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide has a molecular weight of 435.96 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[2-(2-bromoethoxy)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 114309271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).