N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide

C14H16N2O2S — CID 34879291

IUPACN-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCOc1ncccc1NC(=O)c1cc(C)sc1C
InChIInChI=1S/C14H16N2O2S/c1-4-18-14-12(6-5-7-15-14)16-13(17)11-8-9(2)19-10(11)3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyLMAGJVHDJRJYRW-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.41
Rot. Bonds4

About N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide

N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide (PubChem CID 34879291) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide
PubChem CID34879291
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC NameN-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide
SMILESCCOc1ncccc1NC(=O)c1cc(C)sc1C
InChIInChI=1S/C14H16N2O2S/c1-4-18-14-12(6-5-7-15-14)16-13(17)11-8-9(2)19-10(11)3/h5-8H,4H2,1-3H3,(H,16,17)
InChIKeyLMAGJVHDJRJYRW-UHFFFAOYSA-N
XLogP3.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide?
The IUPAC name of N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide (CID 34879291) is N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide is CCOc1ncccc1NC(=O)c1cc(C)sc1C.
What is the InChIKey of N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide?
The InChIKey is LMAGJVHDJRJYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-18-14-12(6-5-7-15-14)16-13(17)11-8-9(2)19-10(11)3/h5-8H,4H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide?
N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide has a molecular weight of 276.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-3-pyridinyl)-2,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 34879291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).