2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide

C17H19NO2S — CID 27770063

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)NCCc1cccs1
InChIInChI=1S/C17H19NO2S/c19-17(18-9-8-16-5-2-10-21-16)12-20-15-7-6-13-3-1-4-14(13)11-15/h2,5-7,10-11H,1,3-4,8-9,12H2,(H,18,19)
InChIKeyGMRQAOITOBBSRX-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.97
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide (PubChem CID 27770063) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
PubChem CID27770063
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)NCCc1cccs1
InChIInChI=1S/C17H19NO2S/c19-17(18-9-8-16-5-2-10-21-16)12-20-15-7-6-13-3-1-4-14(13)11-15/h2,5-7,10-11H,1,3-4,8-9,12H2,(H,18,19)
InChIKeyGMRQAOITOBBSRX-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 8948302
N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]-2-thiophen-2-ylacetamide
CID 113101560
N-(2-acetamidoethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 26655876
2-(3,4-dichlorophenoxy)-N-(2-thiophen-2-ylethyl)acetamide
CID 7604220
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(furan-2-yl)ethyl]acetamide
CID 9390786
2-(6-bromonaphthalen-2-yl)oxy-N-(2-thiophen-2-ylethyl)acetamide
CID 7604570
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-hydroxy-2-thiophen-2-ylpropyl)acetamide
CID 111442137
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide
CID 2087247
2-(2,3-dihydro-1H-inden-5-yloxy)-N-pentylacetamide
CID 86976042
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 27717102
2-(2,3-dihydro-1H-inden-5-yloxy)-1-thiophen-2-ylethanone
CID 43411849
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 26181147

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide (CID 27770063) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide is O=C(COc1ccc2c(c1)CCC2)NCCc1cccs1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide?
The InChIKey is GMRQAOITOBBSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c19-17(18-9-8-16-5-2-10-21-16)12-20-15-7-6-13-3-1-4-14(13)11-15/h2,5-7,10-11H,1,3-4,8-9,12H2,(H,18,19).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide has a molecular weight of 301.41 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-thiophen-2-ylethyl)acetamide is sourced from PubChem (CID 27770063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).