1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone

C20H16OS2 — CID 10497120

IUPAC1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone
SMILESCC(=O)c1cc2ccc(C(C)c3cc4ccccc4s3)cc2s1
InChIInChI=1S/C20H16OS2/c1-12(18-10-15-5-3-4-6-17(15)22-18)14-7-8-16-11-19(13(2)21)23-20(16)9-14/h3-12H,1-2H3
InChIKeyJWCKKVLBUMGIFB-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.47
Rot. Bonds3

About 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone

1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone (PubChem CID 10497120) has the molecular formula C20H16OS2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone
PubChem CID10497120
Molecular FormulaC20H16OS2
Molecular Weight336.48 g/mol
Exact Mass336.06
IUPAC Name1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone
SMILESCC(=O)c1cc2ccc(C(C)c3cc4ccccc4s3)cc2s1
InChIInChI=1S/C20H16OS2/c1-12(18-10-15-5-3-4-6-17(15)22-18)14-7-8-16-11-19(13(2)21)23-20(16)9-14/h3-12H,1-2H3
InChIKeyJWCKKVLBUMGIFB-UHFFFAOYSA-N
XLogP6.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1-benzothiophen-2-yl)ethyl]-2-methylsulfanylbenzaldehyde
CID 10757516
(2R)-2-(1-benzothiophen-2-yl)propanoate
CID 7230612
1-(1-benzothiophen-2-yl)-2-bromopropan-1-one
CID 142706834
bis(1-benzothiophen-2-yl)methanone
CID 5330534
1-(6-amino-1-benzothiophen-2-yl)ethanone
CID 82373112
3-(1-benzothiophen-2-yl)butan-2-ol
CID 67935656
1-(5-ethyl-1-benzothiophen-2-yl)ethanone
CID 143033233
(E)-1-(1-benzothiophen-2-yl)-2-methylbut-2-en-1-one
CID 142740243
N-but-3-yn-2-yl-1-benzothiophene-2-carboxamide
CID 114389678
1-(1-benzothiophen-2-yl)ethanamine
CID 3904659
2-(3-methylbutan-2-yl)-1-benzothiophene
CID 147738757
1-(5-bromo-1-benzothiophen-2-yl)ethanone
CID 617837

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone?
The IUPAC name of 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone (CID 10497120) is 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone.
What is the SMILES notation for 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone?
The canonical SMILES for 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone is CC(=O)c1cc2ccc(C(C)c3cc4ccccc4s3)cc2s1.
What is the InChIKey of 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone?
The InChIKey is JWCKKVLBUMGIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16OS2/c1-12(18-10-15-5-3-4-6-17(15)22-18)14-7-8-16-11-19(13(2)21)23-20(16)9-14/h3-12H,1-2H3.
What are the key properties of 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone?
1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone has a molecular weight of 336.48 g/mol, XLogP of 6.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-(1-benzothiophen-2-yl)ethyl]-1-benzothiophen-2-yl]ethanone is sourced from PubChem (CID 10497120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).