2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone

C19H22N2O2S — CID 4751917

IUPAC2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone
SMILESCCOc1ccc(N(CC(=O)c2cccs2)C2=NCCCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-2-23-16-10-8-15(9-11-16)21(19-7-3-4-12-20-19)14-17(22)18-6-5-13-24-18/h5-6,8-11,13H,2-4,7,12,14H2,1H3
InChIKeyDENKLCGLJSEIIE-UHFFFAOYSA-N
MW342.46 g/mol
LogP4.42
Rot. Bonds6

About 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone

2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone (PubChem CID 4751917) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone
PubChem CID4751917
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone
SMILESCCOc1ccc(N(CC(=O)c2cccs2)C2=NCCCC2)cc1
InChIInChI=1S/C19H22N2O2S/c1-2-23-16-10-8-15(9-11-16)21(19-7-3-4-12-20-19)14-17(22)18-6-5-13-24-18/h5-6,8-11,13H,2-4,7,12,14H2,1H3
InChIKeyDENKLCGLJSEIIE-UHFFFAOYSA-N
XLogP4.42
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone (CID 4751917) is 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone is CCOc1ccc(N(CC(=O)c2cccs2)C2=NCCCC2)cc1.
What is the InChIKey of 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone?
The InChIKey is DENKLCGLJSEIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-2-23-16-10-8-15(9-11-16)21(19-7-3-4-12-20-19)14-17(22)18-6-5-13-24-18/h5-6,8-11,13H,2-4,7,12,14H2,1H3.
What are the key properties of 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone?
2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone has a molecular weight of 342.46 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-ethoxy-N-(2,3,4,5-tetrahydropyridin-6-yl)anilino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 4751917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).