1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone

C18H15NO2S — CID 100936144

IUPAC1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone
SMILESO=C(C[C@H]1c2ccccc2CS1=O)n1ccc2ccccc21
InChIInChI=1S/C18H15NO2S/c20-18(19-10-9-13-5-2-4-8-16(13)19)11-17-15-7-3-1-6-14(15)12-22(17)21/h1-10,17H,11-12H2/t17-,22?/m0/s1
InChIKeyFIJMQUNXKJJJJH-LBOXEOMUSA-N
MW309.39 g/mol
LogP3.68
Rot. Bonds2

About 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone

1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone (PubChem CID 100936144) has the molecular formula C18H15NO2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone.

Molecular Properties

Compound Name1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone
PubChem CID100936144
Molecular FormulaC18H15NO2S
Molecular Weight309.39 g/mol
Exact Mass309.08
IUPAC Name1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone
SMILESO=C(C[C@H]1c2ccccc2CS1=O)n1ccc2ccccc21
InChIInChI=1S/C18H15NO2S/c20-18(19-10-9-13-5-2-4-8-16(13)19)11-17-15-7-3-1-6-14(15)12-22(17)21/h1-10,17H,11-12H2/t17-,22?/m0/s1
InChIKeyFIJMQUNXKJJJJH-LBOXEOMUSA-N
XLogP3.68
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone?
The IUPAC name of 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone (CID 100936144) is 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone.
What is the SMILES notation for 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone?
The canonical SMILES for 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone is O=C(C[C@H]1c2ccccc2CS1=O)n1ccc2ccccc21.
What is the InChIKey of 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone?
The InChIKey is FIJMQUNXKJJJJH-LBOXEOMUSA-N. The full InChI is InChI=1S/C18H15NO2S/c20-18(19-10-9-13-5-2-4-8-16(13)19)11-17-15-7-3-1-6-14(15)12-22(17)21/h1-10,17H,11-12H2/t17-,22?/m0/s1.
What are the key properties of 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone?
1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone has a molecular weight of 309.39 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-indol-1-yl-2-[(1S)-2-oxo-1,3-dihydro-2-benzothiophen-1-yl]ethanone is sourced from PubChem (CID 100936144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).