(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone

C15H12BrNO2S — CID 83162872

IUPAC(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)c3sccc3Br)c12
InChIInChI=1S/C15H12BrNO2S/c1-2-19-12-5-3-4-11-13(12)9(8-17-11)14(18)15-10(16)6-7-20-15/h3-8,17H,2H2,1H3
InChIKeyCYMUMXBIMOYJTR-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.62
Rot. Bonds4

About (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone

(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone (PubChem CID 83162872) has the molecular formula C15H12BrNO2S and a molecular weight of 350.24 g/mol. Its IUPAC name is (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
PubChem CID83162872
Molecular FormulaC15H12BrNO2S
Molecular Weight350.24 g/mol
Exact Mass348.98
IUPAC Name(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)c3sccc3Br)c12
InChIInChI=1S/C15H12BrNO2S/c1-2-19-12-5-3-4-11-13(12)9(8-17-11)14(18)15-10(16)6-7-20-15/h3-8,17H,2H2,1H3
InChIKeyCYMUMXBIMOYJTR-UHFFFAOYSA-N
XLogP4.62
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
(4-bromo-1H-indol-3-yl)-(3-bromothiophen-2-yl)methanone
CID 113292183
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678
(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
CID 83164049
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
(4-ethoxy-1H-indol-3-yl)-(furan-3-yl)methanone
CID 83163327
2-chloro-1-(4-ethoxy-1H-indol-3-yl)propan-1-one
CID 83162396
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913
(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
CID 83164060
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479

Frequently Asked Questions

What is the IUPAC name of (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone?
The IUPAC name of (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone (CID 83162872) is (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone is CCOc1cccc2[nH]cc(C(=O)c3sccc3Br)c12.
What is the InChIKey of (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone?
The InChIKey is CYMUMXBIMOYJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO2S/c1-2-19-12-5-3-4-11-13(12)9(8-17-11)14(18)15-10(16)6-7-20-15/h3-8,17H,2H2,1H3.
What are the key properties of (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone?
(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone has a molecular weight of 350.24 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83162872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).