5-bromo-N-ethylthiophene-2-carboxamide

C7H8BrNOS — CID 17148841

IUPAC5-bromo-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS/c1-2-9-7(10)5-3-4-6(8)11-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyMCZJXRSQHCIODB-UHFFFAOYSA-N
MW234.12 g/mol
LogP2.26
Rot. Bonds2

About 5-bromo-N-ethylthiophene-2-carboxamide

5-bromo-N-ethylthiophene-2-carboxamide (PubChem CID 17148841) has the molecular formula C7H8BrNOS and a molecular weight of 234.12 g/mol. Its IUPAC name is 5-bromo-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-ethylthiophene-2-carboxamide
PubChem CID17148841
Molecular FormulaC7H8BrNOS
Molecular Weight234.12 g/mol
Exact Mass232.95
IUPAC Name5-bromo-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1ccc(Br)s1
InChIInChI=1S/C7H8BrNOS/c1-2-9-7(10)5-3-4-6(8)11-5/h3-4H,2H2,1H3,(H,9,10)
InChIKeyMCZJXRSQHCIODB-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.12
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-ethylthiophene-2-carboxamide (CID 17148841) is 5-bromo-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-ethylthiophene-2-carboxamide is CCNC(=O)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-ethylthiophene-2-carboxamide?
The InChIKey is MCZJXRSQHCIODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrNOS/c1-2-9-7(10)5-3-4-6(8)11-5/h3-4H,2H2,1H3,(H,9,10).
What are the key properties of 5-bromo-N-ethylthiophene-2-carboxamide?
5-bromo-N-ethylthiophene-2-carboxamide has a molecular weight of 234.12 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 17148841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).