5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide

C14H14N2O3S — CID 34879722

IUPAC5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide
SMILESCCOc1ncccc1NC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C14H14N2O3S/c1-3-19-14-10(5-4-8-15-14)16-13(18)12-7-6-11(20-12)9(2)17/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyLOQCANOYYGJLPC-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.00
Rot. Bonds5

About 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide

5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide (PubChem CID 34879722) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide
PubChem CID34879722
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide
SMILESCCOc1ncccc1NC(=O)c1ccc(C(C)=O)s1
InChIInChI=1S/C14H14N2O3S/c1-3-19-14-10(5-4-8-15-14)16-13(18)12-7-6-11(20-12)9(2)17/h4-8H,3H2,1-2H3,(H,16,18)
InChIKeyLOQCANOYYGJLPC-UHFFFAOYSA-N
XLogP3.00
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide?
The IUPAC name of 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide (CID 34879722) is 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide?
The canonical SMILES for 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide is CCOc1ncccc1NC(=O)c1ccc(C(C)=O)s1.
What is the InChIKey of 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide?
The InChIKey is LOQCANOYYGJLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-3-19-14-10(5-4-8-15-14)16-13(18)12-7-6-11(20-12)9(2)17/h4-8H,3H2,1-2H3,(H,16,18).
What are the key properties of 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide?
5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide has a molecular weight of 290.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-(2-ethoxy-3-pyridinyl)thiophene-2-carboxamide is sourced from PubChem (CID 34879722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).