[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone

C22H19NO3S — CID 21370261

IUPAC[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(OCCn2cc(C(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C22H19NO3S/c1-25-16-8-10-17(11-9-16)26-13-12-23-15-19(18-5-2-3-6-20(18)23)22(24)21-7-4-14-27-21/h2-11,14-15H,12-13H2,1H3
InChIKeyAEWSMEKRHNAXOD-UHFFFAOYSA-N
MW377.47 g/mol
LogP5.02
Rot. Bonds7

About [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone

[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone (PubChem CID 21370261) has the molecular formula C22H19NO3S and a molecular weight of 377.47 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
PubChem CID21370261
Molecular FormulaC22H19NO3S
Molecular Weight377.47 g/mol
Exact Mass377.11
IUPAC Name[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
SMILESCOc1ccc(OCCn2cc(C(=O)c3cccs3)c3ccccc32)cc1
InChIInChI=1S/C22H19NO3S/c1-25-16-8-10-17(11-9-16)26-13-12-23-15-19(18-5-2-3-6-20(18)23)22(24)21-7-4-14-27-21/h2-11,14-15H,12-13H2,1H3
InChIKeyAEWSMEKRHNAXOD-UHFFFAOYSA-N
XLogP5.02
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone (CID 21370261) is [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone is COc1ccc(OCCn2cc(C(=O)c3cccs3)c3ccccc32)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
The InChIKey is AEWSMEKRHNAXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3S/c1-25-16-8-10-17(11-9-16)26-13-12-23-15-19(18-5-2-3-6-20(18)23)22(24)21-7-4-14-27-21/h2-11,14-15H,12-13H2,1H3.
What are the key properties of [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone?
[1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone has a molecular weight of 377.47 g/mol, XLogP of 5.02, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 21370261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).