3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole

C18H15NS — CID 163516113

IUPAC3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole
SMILESCCc1cccc2c(-c3cc4ccccc4s3)c[nH]c12
InChIInChI=1S/C18H15NS/c1-2-12-7-5-8-14-15(11-19-18(12)14)17-10-13-6-3-4-9-16(13)20-17/h3-11,19H,2H2,1H3
InChIKeyDGXAMLYSRLZXOA-UHFFFAOYSA-N
MW277.39 g/mol
LogP5.61
Rot. Bonds2

About 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole

3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole (PubChem CID 163516113) has the molecular formula C18H15NS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole
PubChem CID163516113
Molecular FormulaC18H15NS
Molecular Weight277.39 g/mol
Exact Mass277.09
IUPAC Name3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole
SMILESCCc1cccc2c(-c3cc4ccccc4s3)c[nH]c12
InChIInChI=1S/C18H15NS/c1-2-12-7-5-8-14-15(11-19-18(12)14)17-10-13-6-3-4-9-16(13)20-17/h3-11,19H,2H2,1H3
InChIKeyDGXAMLYSRLZXOA-UHFFFAOYSA-N
XLogP5.61
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500277.39
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-3-(1H-indol-3-yl)-1H-indole
CID 46901494
7-ethyl-3-methyl-1H-indole
CID 13271010
5-(1-benzothiophen-2-yl)benzo[a]anthracene-7,12-dione
CID 12614719
2-(1H-indol-3-yl)thiochromen-4-one
CID 54116167
7-ethyl-3-[(7-ethyl-1H-indol-3-yl)-phenylmethyl]-1H-indole
CID 101447638
4-[5-(1-benzothiophen-2-yl)-2H-triazol-4-yl]-6-ethylbenzene-1,3-diol
CID 172727280
2-(6-naphthalen-1-ylbenzo[a]anthracen-4-yl)-1-benzothiophene
CID 59412734
7-ethyl-3-[1-(7-ethyl-1H-indol-3-yl)-1-phenylethyl]-1H-indole
CID 101349475
[2-(1-benzothiophen-2-yl)-5-methylphenyl]methanol
CID 172649831
ethane;4-ethyldibenzothiophene
CID 123227550
(1S)-1-(7-ethyl-1H-indol-3-yl)-N,N-dimethylethane-1,2-diamine
CID 96599431
1-(7-ethyl-1H-indol-3-yl)butan-2-amine
CID 154181307

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole?
The IUPAC name of 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole (CID 163516113) is 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole is CCc1cccc2c(-c3cc4ccccc4s3)c[nH]c12.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole?
The InChIKey is DGXAMLYSRLZXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NS/c1-2-12-7-5-8-14-15(11-19-18(12)14)17-10-13-6-3-4-9-16(13)20-17/h3-11,19H,2H2,1H3.
What are the key properties of 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole?
3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole has a molecular weight of 277.39 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-7-ethyl-1H-indole is sourced from PubChem (CID 163516113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).