1-benzothiophen-2-yl(1H-indol-2-yl)methanone

C17H11NOS — CID 134955887

IUPAC1-benzothiophen-2-yl(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2ccccc2s1
InChIInChI=1S/C17H11NOS/c19-17(14-9-11-5-1-3-7-13(11)18-14)16-10-12-6-2-4-8-15(12)20-16/h1-10,18H
InChIKeyVYAAAPXDROPRKJ-UHFFFAOYSA-N
MW277.35 g/mol
LogP4.61
Rot. Bonds2

About 1-benzothiophen-2-yl(1H-indol-2-yl)methanone

1-benzothiophen-2-yl(1H-indol-2-yl)methanone (PubChem CID 134955887) has the molecular formula C17H11NOS and a molecular weight of 277.35 g/mol. Its IUPAC name is 1-benzothiophen-2-yl(1H-indol-2-yl)methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl(1H-indol-2-yl)methanone
PubChem CID134955887
Molecular FormulaC17H11NOS
Molecular Weight277.35 g/mol
Exact Mass277.06
IUPAC Name1-benzothiophen-2-yl(1H-indol-2-yl)methanone
SMILESO=C(c1cc2ccccc2[nH]1)c1cc2ccccc2s1
InChIInChI=1S/C17H11NOS/c19-17(14-9-11-5-1-3-7-13(11)18-14)16-10-12-6-2-4-8-15(12)20-16/h1-10,18H
InChIKeyVYAAAPXDROPRKJ-UHFFFAOYSA-N
XLogP4.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(1-benzothiophen-2-yl)methanone
CID 5330534
1H-indol-2-yl(thiophen-2-yl)methanone
CID 102431205
[5-(1-benzothiophene-2-carbonyl)thiophen-2-yl]-(1-benzothiophen-2-yl)methanone
CID 58875873
1-benzothiophen-2-yl(phenyl)methanone
CID 3842890
2,5-bis(1H-indole-2-carbonyl)terephthalic acid
CID 70529357
4-(1-benzothiophene-2-carbonyl)-1H-pyrrole-2-carboxylic acid
CID 61406648
1H-indole-2-carbothioic S-acid
CID 4713092
1-[4-(1H-indole-2-carbonyl)phenyl]ethanone
CID 139733709
1-benzothiophen-2-yl-(3-hydroxyphenyl)methanone
CID 118714408
1-benzothiophen-2-yl-(5-methylthiophen-3-yl)methanone
CID 114976116
ethane;1H-indole-2-carboxylic acid
CID 91052830
1-benzothiophen-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626609

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl(1H-indol-2-yl)methanone?
The IUPAC name of 1-benzothiophen-2-yl(1H-indol-2-yl)methanone (CID 134955887) is 1-benzothiophen-2-yl(1H-indol-2-yl)methanone.
What is the SMILES notation for 1-benzothiophen-2-yl(1H-indol-2-yl)methanone?
The canonical SMILES for 1-benzothiophen-2-yl(1H-indol-2-yl)methanone is O=C(c1cc2ccccc2[nH]1)c1cc2ccccc2s1.
What is the InChIKey of 1-benzothiophen-2-yl(1H-indol-2-yl)methanone?
The InChIKey is VYAAAPXDROPRKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NOS/c19-17(14-9-11-5-1-3-7-13(11)18-14)16-10-12-6-2-4-8-15(12)20-16/h1-10,18H.
What are the key properties of 1-benzothiophen-2-yl(1H-indol-2-yl)methanone?
1-benzothiophen-2-yl(1H-indol-2-yl)methanone has a molecular weight of 277.35 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl(1H-indol-2-yl)methanone is sourced from PubChem (CID 134955887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).