(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone

C15H11Br2NO2S — CID 83164049

IUPAC(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)c3cc(Br)c(Br)s3)c12
InChIInChI=1S/C15H11Br2NO2S/c1-2-20-11-5-3-4-10-13(11)8(7-18-10)14(19)12-6-9(16)15(17)21-12/h3-7,18H,2H2,1H3
InChIKeyPFLPTMLLUWZZFA-UHFFFAOYSA-N
MW429.13 g/mol
LogP5.38
Rot. Bonds4

About (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone

(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone (PubChem CID 83164049) has the molecular formula C15H11Br2NO2S and a molecular weight of 429.13 g/mol. Its IUPAC name is (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
PubChem CID83164049
Molecular FormulaC15H11Br2NO2S
Molecular Weight429.13 g/mol
Exact Mass426.89
IUPAC Name(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)c3cc(Br)c(Br)s3)c12
InChIInChI=1S/C15H11Br2NO2S/c1-2-20-11-5-3-4-10-13(11)8(7-18-10)14(19)12-6-9(16)15(17)21-12/h3-7,18H,2H2,1H3
InChIKeyPFLPTMLLUWZZFA-UHFFFAOYSA-N
XLogP5.38
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.13
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162872
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
(4,5-dibromothiophen-2-yl)-(2-ethoxy-5-methylphenyl)methanone
CID 80536132
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
(4,5-dibromothiophen-2-yl)-(7-ethyl-1H-indol-3-yl)methanone
CID 80537318
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913
2-(4-ethoxy-1H-indol-3-yl)acetic acid
CID 45094545
cyclohexyl-(4-ethoxy-1H-indol-3-yl)methanone
CID 83162479
(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
CID 83164060

Frequently Asked Questions

What is the IUPAC name of (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone?
The IUPAC name of (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone (CID 83164049) is (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone is CCOc1cccc2[nH]cc(C(=O)c3cc(Br)c(Br)s3)c12.
What is the InChIKey of (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone?
The InChIKey is PFLPTMLLUWZZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO2S/c1-2-20-11-5-3-4-10-13(11)8(7-18-10)14(19)12-6-9(16)15(17)21-12/h3-7,18H,2H2,1H3.
What are the key properties of (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone?
(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone has a molecular weight of 429.13 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 83164049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).