4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole

C18H19NOS — CID 123208404

IUPAC4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole
SMILESCCc1c[nH]c(-c2ccccc2OCCc2ccsc2)c1
InChIInChI=1S/C18H19NOS/c1-2-14-11-17(19-12-14)16-5-3-4-6-18(16)20-9-7-15-8-10-21-13-15/h3-6,8,10-13,19H,2,7,9H2,1H3
InChIKeySBPUETYRVINKLT-UHFFFAOYSA-N
MW297.42 g/mol
LogP4.93
Rot. Bonds6

About 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole

4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole (PubChem CID 123208404) has the molecular formula C18H19NOS and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole.

Molecular Properties

Compound Name4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole
PubChem CID123208404
Molecular FormulaC18H19NOS
Molecular Weight297.42 g/mol
Exact Mass297.12
IUPAC Name4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole
SMILESCCc1c[nH]c(-c2ccccc2OCCc2ccsc2)c1
InChIInChI=1S/C18H19NOS/c1-2-14-11-17(19-12-14)16-5-3-4-6-18(16)20-9-7-15-8-10-21-13-15/h3-6,8,10-13,19H,2,7,9H2,1H3
InChIKeySBPUETYRVINKLT-UHFFFAOYSA-N
XLogP4.93
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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5-propan-2-yloxy-3-[1-(thiophen-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
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N-[(2,6-dimethoxyphenyl)methyl]-1-(5-methyl-2-pyridinyl)-2-thiophen-3-ylethanamine
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(2E)-N-{[7-(3-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-3-(2-thienyl)acrylamide
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US10941138, Example 15
CID 135145270
US10941138, Example 2
CID 135145271

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole?
The IUPAC name of 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole (CID 123208404) is 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole.
What is the SMILES notation for 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole?
The canonical SMILES for 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole is CCc1c[nH]c(-c2ccccc2OCCc2ccsc2)c1.
What is the InChIKey of 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole?
The InChIKey is SBPUETYRVINKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NOS/c1-2-14-11-17(19-12-14)16-5-3-4-6-18(16)20-9-7-15-8-10-21-13-15/h3-6,8,10-13,19H,2,7,9H2,1H3.
What are the key properties of 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole?
4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole has a molecular weight of 297.42 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[2-(2-thiophen-3-ylethoxy)phenyl]-1H-pyrrole is sourced from PubChem (CID 123208404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).