3-bromo-N,N-diethylthiophene-2-carboxamide

C9H12BrNOS — CID 54461600

IUPAC3-bromo-N,N-diethylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sccc1Br
InChIInChI=1S/C9H12BrNOS/c1-3-11(4-2)9(12)8-7(10)5-6-13-8/h5-6H,3-4H2,1-2H3
InChIKeyXBZILZVDTTWYLG-UHFFFAOYSA-N
MW262.17 g/mol
LogP2.99
Rot. Bonds3

About 3-bromo-N,N-diethylthiophene-2-carboxamide

3-bromo-N,N-diethylthiophene-2-carboxamide (PubChem CID 54461600) has the molecular formula C9H12BrNOS and a molecular weight of 262.17 g/mol. Its IUPAC name is 3-bromo-N,N-diethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N,N-diethylthiophene-2-carboxamide
PubChem CID54461600
Molecular FormulaC9H12BrNOS
Molecular Weight262.17 g/mol
Exact Mass260.98
IUPAC Name3-bromo-N,N-diethylthiophene-2-carboxamide
SMILESCCN(CC)C(=O)c1sccc1Br
InChIInChI=1S/C9H12BrNOS/c1-3-11(4-2)9(12)8-7(10)5-6-13-8/h5-6H,3-4H2,1-2H3
InChIKeyXBZILZVDTTWYLG-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,N-diethylthiophene-2-carboxamide?
The IUPAC name of 3-bromo-N,N-diethylthiophene-2-carboxamide (CID 54461600) is 3-bromo-N,N-diethylthiophene-2-carboxamide.
What is the SMILES notation for 3-bromo-N,N-diethylthiophene-2-carboxamide?
The canonical SMILES for 3-bromo-N,N-diethylthiophene-2-carboxamide is CCN(CC)C(=O)c1sccc1Br.
What is the InChIKey of 3-bromo-N,N-diethylthiophene-2-carboxamide?
The InChIKey is XBZILZVDTTWYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS/c1-3-11(4-2)9(12)8-7(10)5-6-13-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-bromo-N,N-diethylthiophene-2-carboxamide?
3-bromo-N,N-diethylthiophene-2-carboxamide has a molecular weight of 262.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N,N-diethylthiophene-2-carboxamide is sourced from PubChem (CID 54461600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).