[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone

C21H17NO2S — CID 965825

IUPAC[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C21H17NO2S/c23-21(20-11-6-14-25-20)18-15-22(19-10-5-4-9-17(18)19)12-13-24-16-7-2-1-3-8-16/h1-11,14-15H,12-13H2
InChIKeySKGBDADOXIMMTR-UHFFFAOYSA-N
MW347.44 g/mol
LogP5.01
Rot. Bonds6

About [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone

[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone (PubChem CID 965825) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
PubChem CID965825
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cn(CCOc2ccccc2)c2ccccc12
InChIInChI=1S/C21H17NO2S/c23-21(20-11-6-14-25-20)18-15-22(19-10-5-4-9-17(18)19)12-13-24-16-7-2-1-3-8-16/h1-11,14-15H,12-13H2
InChIKeySKGBDADOXIMMTR-UHFFFAOYSA-N
XLogP5.01
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.44
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[2-(2-chlorophenoxy)ethyl]indol-3-yl]-thiophen-2-ylmethanone
CID 1292806
1-[1-(2-phenoxyethyl)indol-3-yl]propan-1-one
CID 955267
N-cyclopropyl-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 2974463
N-(2-phenylethyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 1298670
[1-(2-phenoxyethyl)indol-3-yl]-pyrrolidin-1-ylmethanethione
CID 1324805
N-(4-methylphenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 5043393
[1-[2-(4-tert-butylphenoxy)ethyl]indol-3-yl]-(2-fluorophenyl)methanone
CID 4269954
1-[1-[2-(3-methylphenoxy)ethyl]indol-3-yl]ethanone
CID 117098447
1-(2,6-dimethylpiperidin-1-yl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]ethanone
CID 3619438
N-(3,5-dichlorophenyl)-2-[3-(thiophene-2-carbonyl)indol-1-yl]acetamide
CID 4027629
3-(1-hydroxythiolan-1-yl)-1-(2-phenoxyethyl)indole
CID 163442021
4-phenoxy-1-thiophen-2-ylbutan-1-one
CID 43793631

Frequently Asked Questions

What is the IUPAC name of [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone?
The IUPAC name of [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone (CID 965825) is [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cn(CCOc2ccccc2)c2ccccc12.
What is the InChIKey of [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone?
The InChIKey is SKGBDADOXIMMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c23-21(20-11-6-14-25-20)18-15-22(19-10-5-4-9-17(18)19)12-13-24-16-7-2-1-3-8-16/h1-11,14-15H,12-13H2.
What are the key properties of [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone?
[1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone has a molecular weight of 347.44 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenoxyethyl)indol-3-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 965825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).