2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide

C17H23NO2S — CID 22666560

IUPAC2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COCCCc1ccc2sccc2c1
InChIInChI=1S/C17H23NO2S/c1-3-18(4-2)17(19)13-20-10-5-6-14-7-8-16-15(12-14)9-11-21-16/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeyRVZVIYIFRZIUGL-UHFFFAOYSA-N
MW305.44 g/mol
LogP3.72
Rot. Bonds8

About 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide

2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide (PubChem CID 22666560) has the molecular formula C17H23NO2S and a molecular weight of 305.44 g/mol. Its IUPAC name is 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide
PubChem CID22666560
Molecular FormulaC17H23NO2S
Molecular Weight305.44 g/mol
Exact Mass305.14
IUPAC Name2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)COCCCc1ccc2sccc2c1
InChIInChI=1S/C17H23NO2S/c1-3-18(4-2)17(19)13-20-10-5-6-14-7-8-16-15(12-14)9-11-21-16/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeyRVZVIYIFRZIUGL-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[1-(1-benzothiophen-5-yl)ethoxy]-N,N-diethylacetamide
CID 142653428
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-ethylamino]ethanol
CID 22666350
2-[2-(1-benzothiophen-5-yl)ethoxy]-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 139922968
5-(ethoxymethyl)-1-benzothiophene
CID 102099380
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-methylamino]ethyl 2,2-dimethylpropanoate;hydrochloride
CID 22666508
N'-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-N-methylethane-1,2-diamine
CID 139922986
2-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl-benzylamino]ethanol;oxalic acid
CID 22666528
1-[2-(1-benzothiophen-5-yl)ethoxy]-N-methylpropan-2-amine
CID 141030590
bis[1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]azetidin-3-yl] 2,3-dihydroxybutanedioate
CID 91127899
2-[2-(diethylamino)-2-oxoethoxy]-N,N-diethylacetamide
CID 12729092
1-[2-[2-(1-benzothiophen-5-yl)ethoxy]ethyl]-4-[3-(4-methoxyphenyl)propyl]piperazine
CID 139810904
3-[2-(1-benzothiophen-5-yl)ethoxy]-1-(3-methylazetidin-1-yl)propan-1-one;1-[3-[2-(1-benzothiophen-5-yl)ethoxy]propyl]-3-methylazetidine;oxalic acid
CID 157227874

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide?
The IUPAC name of 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide (CID 22666560) is 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide.
What is the SMILES notation for 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide?
The canonical SMILES for 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide is CCN(CC)C(=O)COCCCc1ccc2sccc2c1.
What is the InChIKey of 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide?
The InChIKey is RVZVIYIFRZIUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2S/c1-3-18(4-2)17(19)13-20-10-5-6-14-7-8-16-15(12-14)9-11-21-16/h7-9,11-12H,3-6,10,13H2,1-2H3.
What are the key properties of 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide?
2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide has a molecular weight of 305.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzothiophen-5-yl)propoxy]-N,N-diethylacetamide is sourced from PubChem (CID 22666560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).