1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone

C15H12BrNO2S — CID 62023000

IUPAC1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone
SMILESCOc1ccc2c(ccn2CC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H12BrNO2S/c1-19-11-2-3-12-10(8-11)6-7-17(12)9-13(18)14-4-5-15(16)20-14/h2-8H,9H2,1H3
InChIKeyXMHPCVLYSMMUQM-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.36
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone

1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone (PubChem CID 62023000) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone
PubChem CID62023000
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone
SMILESCOc1ccc2c(ccn2CC(=O)c2ccc(Br)s2)c1
InChIInChI=1S/C15H12BrNO2S/c1-19-11-2-3-12-10(8-11)6-7-17(12)9-13(18)14-4-5-15(16)20-14/h2-8H,9H2,1H3
InChIKeyXMHPCVLYSMMUQM-UHFFFAOYSA-N
XLogP4.36
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 80649251
2-(5-methoxyindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62025582
2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
1-(5-bromothiophen-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 51363090
1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
CID 63554614
(5-bromothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491329
ethyl 4-(5-methoxyindol-1-yl)-3-oxobutanoate
CID 63899069
N-tert-butyl-2-(5-methoxyindol-1-yl)acetamide
CID 115582184
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855
N-(5-bromo-2-pyridinyl)-2-(5-methoxyindol-1-yl)acetamide
CID 29139061
4-(5-methoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 77074701
2-(5-methoxyindol-1-yl)-N-prop-2-ynylacetamide
CID 115582181

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone (CID 62023000) is 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone is COc1ccc2c(ccn2CC(=O)c2ccc(Br)s2)c1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone?
The InChIKey is XMHPCVLYSMMUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-19-11-2-3-12-10(8-11)6-7-17(12)9-13(18)14-4-5-15(16)20-14/h2-8H,9H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone?
1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone has a molecular weight of 350.24 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone is sourced from PubChem (CID 62023000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).