2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide

C16H21NO2S — CID 142653428

IUPAC2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COC(C)c1ccc2sccc2c1
InChIInChI=1S/C16H21NO2S/c1-4-17(5-2)16(18)11-19-12(3)13-6-7-15-14(10-13)8-9-20-15/h6-10,12H,4-5,11H2,1-3H3
InChIKeyUMIAXBCTZIRGTH-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.85
Rot. Bonds6

About 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide

2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide (PubChem CID 142653428) has the molecular formula C16H21NO2S and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide
PubChem CID142653428
Molecular FormulaC16H21NO2S
Molecular Weight291.42 g/mol
Exact Mass291.13
IUPAC Name2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COC(C)c1ccc2sccc2c1
InChIInChI=1S/C16H21NO2S/c1-4-17(5-2)16(18)11-19-12(3)13-6-7-15-14(10-13)8-9-20-15/h6-10,12H,4-5,11H2,1-3H3
InChIKeyUMIAXBCTZIRGTH-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide
CID 22666560
dimethyl 2-(1-benzothiophen-5-yl)propanedioate
CID 166823903
(1R)-1-(1-benzothiophen-5-yl)ethanamine
CID 131094683
(1R)-1-(1-benzothiophen-5-yl)propan-1-amine
CID 130635680
5-bromo-1-benzothiophene;ethyl 2-(1-benzothiophen-5-yl)-2-cyanoacetate
CID 158317393
[[(R)-1-benzothiophen-5-yl(fluoro)methyl]-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
CID 176768531
tert-butyl N-[(2S)-1-(1-benzothiophen-5-yl)propan-2-yl]-N-methylcarbamate
CID 168763872
N-[4-(1-benzothiophen-5-yl)-3,4-dihydroxybutyl]acetamide
CID 171883191
(1S)-1-(1-benzothiophen-5-yl)-N,N-dibenzylethanamine
CID 155936660
ethyl 2-(1-benzothiophen-5-ylamino)pentanoate
CID 79040634
N,N-diethyl-2-(1-thieno[3,2-b]pyridin-6-ylethylamino)acetamide
CID 115712639
ethyl 3-(1-benzothiophen-5-yl)but-2-enoate
CID 70030562

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide (CID 142653428) is 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COC(C)c1ccc2sccc2c1.
What is the InChIKey of 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide?
The InChIKey is UMIAXBCTZIRGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2S/c1-4-17(5-2)16(18)11-19-12(3)13-6-7-15-14(10-13)8-9-20-15/h6-10,12H,4-5,11H2,1-3H3.
What are the key properties of 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide?
2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide has a molecular weight of 291.42 g/mol, XLogP of 3.85, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide is sourced from PubChem (CID 142653428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).