3-methoxythiophene-2-carboxamide

C6H7NO2S — CID 593881

IUPAC3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(N)=O
InChIInChI=1S/C6H7NO2S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyGJMQULWNKQLTIM-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.86
Rot. Bonds2

About 3-methoxythiophene-2-carboxamide

3-methoxythiophene-2-carboxamide (PubChem CID 593881) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 3-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxythiophene-2-carboxamide
PubChem CID593881
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name3-methoxythiophene-2-carboxamide
SMILESCOc1ccsc1C(N)=O
InChIInChI=1S/C6H7NO2S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyGJMQULWNKQLTIM-UHFFFAOYSA-N
XLogP0.86
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxythiophene-2-carboxamide?
The IUPAC name of 3-methoxythiophene-2-carboxamide (CID 593881) is 3-methoxythiophene-2-carboxamide.
What is the SMILES notation for 3-methoxythiophene-2-carboxamide?
The canonical SMILES for 3-methoxythiophene-2-carboxamide is COc1ccsc1C(N)=O.
What is the InChIKey of 3-methoxythiophene-2-carboxamide?
The InChIKey is GJMQULWNKQLTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-9-4-2-3-10-5(4)6(7)8/h2-3H,1H3,(H2,7,8).
What are the key properties of 3-methoxythiophene-2-carboxamide?
3-methoxythiophene-2-carboxamide has a molecular weight of 157.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxythiophene-2-carboxamide is sourced from PubChem (CID 593881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).