5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C20H22N2OS — CID 155544392

IUPAC5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCCOc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1
InChIInChI=1S/C20H22N2OS/c1-2-23-16-5-6-20-18(12-16)19(13-21-20)15-7-9-22(10-8-15)14-17-4-3-11-24-17/h3-7,11-13,21H,2,8-10,14H2,1H3
InChIKeyPQOIAGPIJULJKW-UHFFFAOYSA-N
MW338.48 g/mol
LogP4.92
Rot. Bonds5

About 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 155544392) has the molecular formula C20H22N2OS and a molecular weight of 338.48 g/mol. Its IUPAC name is 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID155544392
Molecular FormulaC20H22N2OS
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCCOc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1
InChIInChI=1S/C20H22N2OS/c1-2-23-16-5-6-20-18(12-16)19(13-21-20)15-7-9-22(10-8-15)14-17-4-3-11-24-17/h3-7,11-13,21H,2,8-10,14H2,1H3
InChIKeyPQOIAGPIJULJKW-UHFFFAOYSA-N
XLogP4.92
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 155544392) is 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is CCOc1ccc2[nH]cc(C3=CCN(Cc4cccs4)CC3)c2c1.
What is the InChIKey of 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is PQOIAGPIJULJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2OS/c1-2-23-16-5-6-20-18(12-16)19(13-21-20)15-7-9-22(10-8-15)14-17-4-3-11-24-17/h3-7,11-13,21H,2,8-10,14H2,1H3.
What are the key properties of 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 338.48 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 155544392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).