5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide

C13H13BrN2O2S — CID 37486558

IUPAC5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1csc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-2-18-13-9(4-3-5-15-13)7-16-12(17)10-6-11(14)19-8-10/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyRLCYZLOIMIHCEH-UHFFFAOYSA-N
MW341.23 g/mol
LogP3.23
Rot. Bonds5

About 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide

5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide (PubChem CID 37486558) has the molecular formula C13H13BrN2O2S and a molecular weight of 341.23 g/mol. Its IUPAC name is 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide
PubChem CID37486558
Molecular FormulaC13H13BrN2O2S
Molecular Weight341.23 g/mol
Exact Mass339.99
IUPAC Name5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1csc(Br)c1
InChIInChI=1S/C13H13BrN2O2S/c1-2-18-13-9(4-3-5-15-13)7-16-12(17)10-6-11(14)19-8-10/h3-6,8H,2,7H2,1H3,(H,16,17)
InChIKeyRLCYZLOIMIHCEH-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide (CID 37486558) is 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide is CCOc1ncccc1CNC(=O)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide?
The InChIKey is RLCYZLOIMIHCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O2S/c1-2-18-13-9(4-3-5-15-13)7-16-12(17)10-6-11(14)19-8-10/h3-6,8H,2,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide?
5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide has a molecular weight of 341.23 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-ethoxy-3-pyridinyl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 37486558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).