4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide

C12H8Br3NO2S — CID 80536511

IUPAC4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1Br
InChIInChI=1S/C12H8Br3NO2S/c1-18-9-3-2-6(4-7(9)13)16-12(17)10-5-8(14)11(15)19-10/h2-5H,1H3,(H,16,17)
InChIKeyAOGRUJSYHJMRMZ-UHFFFAOYSA-N
MW469.98 g/mol
LogP5.30
Rot. Bonds3

About 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide

4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide (PubChem CID 80536511) has the molecular formula C12H8Br3NO2S and a molecular weight of 469.98 g/mol. Its IUPAC name is 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
PubChem CID80536511
Molecular FormulaC12H8Br3NO2S
Molecular Weight469.98 g/mol
Exact Mass466.78
IUPAC Name4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1Br
InChIInChI=1S/C12H8Br3NO2S/c1-18-9-3-2-6(4-7(9)13)16-12(17)10-5-8(14)11(15)19-10/h2-5H,1H3,(H,16,17)
InChIKeyAOGRUJSYHJMRMZ-UHFFFAOYSA-N
XLogP5.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.98
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dibromo-N-(3,4-dimethylphenyl)thiophene-2-carboxamide
CID 54557430
4,5-dibromo-N-(5-bromo-2-methoxyphenyl)thiophene-2-carboxamide
CID 47317630
4,5-dibromo-N-(2-methoxy-4-pyridinyl)thiophene-2-carboxamide
CID 112739550
4,5-dibromo-N-[(4-methoxy-3-nitrophenyl)carbamothioyl]thiophene-2-carboxamide
CID 19205272
4,5-dibromo-N-(3-chloro-4-propoxyphenyl)thiophene-2-carboxamide
CID 80534123
4,5-dibromo-N-[3-(chloromethyl)-4-ethoxyphenyl]thiophene-2-carboxamide
CID 114302887
N-(4-aminophenyl)-4,5-dibromothiophene-2-carboxamide
CID 78984489
N-(3-bromo-4-methoxyphenyl)carbamoyl chloride
CID 115194346
4,5-dibromo-N-[4-(methylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24635611
4,5-dibromo-N-[4-(2-methylpropanoylamino)phenyl]thiophene-2-carboxamide
CID 42119588
4,5-dibromo-N-[4-bromo-3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 78906787
4,5-dibromo-N-(4-bromo-2-methoxy-6-methylphenyl)thiophene-2-carboxamide
CID 80536467

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide (CID 80536511) is 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide is COc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1Br.
What is the InChIKey of 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide?
The InChIKey is AOGRUJSYHJMRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br3NO2S/c1-18-9-3-2-6(4-7(9)13)16-12(17)10-5-8(14)11(15)19-10/h2-5H,1H3,(H,16,17).
What are the key properties of 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide?
4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide has a molecular weight of 469.98 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-(3-bromo-4-methoxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 80536511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).