5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide

C8H10BrNO2S — CID 130684536

IUPAC5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1cc(C(=O)N(C)C)sc1Br
InChIInChI=1S/C8H10BrNO2S/c1-10(2)8(11)6-4-5(12-3)7(9)13-6/h4H,1-3H3
InChIKeyZAUQLIRTVNNFHA-UHFFFAOYSA-N
MW264.14 g/mol
LogP2.22
Rot. Bonds2

About 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide

5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide (PubChem CID 130684536) has the molecular formula C8H10BrNO2S and a molecular weight of 264.14 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide
PubChem CID130684536
Molecular FormulaC8H10BrNO2S
Molecular Weight264.14 g/mol
Exact Mass262.96
IUPAC Name5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide
SMILESCOc1cc(C(=O)N(C)C)sc1Br
InChIInChI=1S/C8H10BrNO2S/c1-10(2)8(11)6-4-5(12-3)7(9)13-6/h4H,1-3H3
InChIKeyZAUQLIRTVNNFHA-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.14
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide?
The IUPAC name of 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide (CID 130684536) is 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide?
The canonical SMILES for 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide is COc1cc(C(=O)N(C)C)sc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide?
The InChIKey is ZAUQLIRTVNNFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2S/c1-10(2)8(11)6-4-5(12-3)7(9)13-6/h4H,1-3H3.
What are the key properties of 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide?
5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide has a molecular weight of 264.14 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N,N-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 130684536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).