1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone

C14H17NOS — CID 821791

IUPAC1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)c1csc2ccccc12
InChIInChI=1S/C14H17NOS/c1-3-15(4-2)9-13(16)12-10-17-14-8-6-5-7-11(12)14/h5-8,10H,3-4,9H2,1-2H3
InChIKeyZRSLKSXJPBXUFD-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.43
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone

1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone (PubChem CID 821791) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone
PubChem CID821791
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone
SMILESCCN(CC)CC(=O)c1csc2ccccc12
InChIInChI=1S/C14H17NOS/c1-3-15(4-2)9-13(16)12-10-17-14-8-6-5-7-11(12)14/h5-8,10H,3-4,9H2,1-2H3
InChIKeyZRSLKSXJPBXUFD-UHFFFAOYSA-N
XLogP3.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Acetylbenzothiophene
CID 14316
1-(Benzothiophen-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
CID 6481408
2-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophen-2-yl-ethanone
CID 9971197
2-Pyrrolidin-1-yl-1-(4-thiophen-2-yl-phenyl)pentan-1-one
CID 11209208
(1-Aza-bicyclo[2.2.2]oct-3-yl)-benzo[b]thiophen-2-yl-methanone
CID 44348669
1-(1-Benzothiophen-2-yl)-3-[benzyl(propan-2-yl)amino]propan-1-one
CID 46232151
1-(1-Benzothiophen-2-yl)-3-[benzyl(tert-butyl)amino]propan-1-one
CID 46232152
1-(1-Benzothien-3-yl)-3-(1-piperidinyl)-1-propanone
CID 268638
1-(1-Benzothien-3-ylcarbonyl)azepane
CID 1245639
[3-(1-benzothiophen-3-yl)-2-(dimethylcarbamothioylsulfanylmethyl)-3-oxopropyl] N,N-dimethylcarbamodithioate
CID 73388953
3-(1-Aza-bicyclo[2.2.2]oct-3-yl)-1-benzo[b]thiophen-2-yl-propan-1-one
CID 44348691
1-(1-Benzothiophen-2-yl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-one
CID 46232153

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone (CID 821791) is 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone is CCN(CC)CC(=O)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone?
The InChIKey is ZRSLKSXJPBXUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-3-15(4-2)9-13(16)12-10-17-14-8-6-5-7-11(12)14/h5-8,10H,3-4,9H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone?
1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone has a molecular weight of 247.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2-(diethylamino)ethanone is sourced from PubChem (CID 821791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).