2,5-dichloro-N-ethoxythiophene-3-carboxamide

C7H7Cl2NO2S — CID 47129266

IUPAC2,5-dichloro-N-ethoxythiophene-3-carboxamide
SMILESCCONC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H7Cl2NO2S/c1-2-12-10-7(11)4-3-5(8)13-6(4)9/h3H,2H2,1H3,(H,10,11)
InChIKeyFZVWHZJVYAWYBE-UHFFFAOYSA-N
MW240.11 g/mol
LogP2.74
Rot. Bonds3

About 2,5-dichloro-N-ethoxythiophene-3-carboxamide

2,5-dichloro-N-ethoxythiophene-3-carboxamide (PubChem CID 47129266) has the molecular formula C7H7Cl2NO2S and a molecular weight of 240.11 g/mol. Its IUPAC name is 2,5-dichloro-N-ethoxythiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-ethoxythiophene-3-carboxamide
PubChem CID47129266
Molecular FormulaC7H7Cl2NO2S
Molecular Weight240.11 g/mol
Exact Mass238.96
IUPAC Name2,5-dichloro-N-ethoxythiophene-3-carboxamide
SMILESCCONC(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C7H7Cl2NO2S/c1-2-12-10-7(11)4-3-5(8)13-6(4)9/h3H,2H2,1H3,(H,10,11)
InChIKeyFZVWHZJVYAWYBE-UHFFFAOYSA-N
XLogP2.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.11
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-ethoxythiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-ethoxythiophene-3-carboxamide (CID 47129266) is 2,5-dichloro-N-ethoxythiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-ethoxythiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-ethoxythiophene-3-carboxamide is CCONC(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-ethoxythiophene-3-carboxamide?
The InChIKey is FZVWHZJVYAWYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2NO2S/c1-2-12-10-7(11)4-3-5(8)13-6(4)9/h3H,2H2,1H3,(H,10,11).
What are the key properties of 2,5-dichloro-N-ethoxythiophene-3-carboxamide?
2,5-dichloro-N-ethoxythiophene-3-carboxamide has a molecular weight of 240.11 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-ethoxythiophene-3-carboxamide is sourced from PubChem (CID 47129266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).