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

C16H15NO2S — CID 83163405

IUPAC(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)c3sccc3C)c12
InChIInChI=1S/C16H15NO2S/c1-3-19-13-6-4-5-12-14(13)11(9-17-12)15(18)16-10(2)7-8-20-16/h4-9,17H,3H2,1-2H3
InChIKeyUIRTXGVUFLAUBM-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.17
Rot. Bonds4

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

(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 83163405) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is (4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID83163405
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
SMILESCCOc1cccc2[nH]cc(C(=O)c3sccc3C)c12
InChIInChI=1S/C16H15NO2S/c1-3-19-13-6-4-5-12-14(13)11(9-17-12)15(18)16-10(2)7-8-20-16/h4-9,17H,3H2,1-2H3
InChIKeyUIRTXGVUFLAUBM-UHFFFAOYSA-N
XLogP4.17
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.17
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
(2-ethoxyphenyl)-(4-methyl-1H-indol-3-yl)methanone
CID 43341913
(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 80643241
2-chloro-1-(4-ethoxy-1H-indol-3-yl)ethanone
CID 83162554
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
(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
(4,5-dibromothiophen-2-yl)-(4-ethoxy-1H-indol-3-yl)methanone
CID 83164049
1-(4-ethoxy-1H-indol-3-yl)-3-methylbutan-1-one
CID 83162797
(3-bromothiophen-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 63796678
(4-ethoxy-1H-indol-3-yl)-(1-ethylcyclopentyl)methanone
CID 83164060
(3-chloro-4-methylthiophen-2-yl)-(4-methoxy-1H-indol-3-yl)methanone
CID 103400471

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone (CID 83163405) is (4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone is CCOc1cccc2[nH]cc(C(=O)c3sccc3C)c12.
What is the InChIKey of (4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is UIRTXGVUFLAUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-3-19-13-6-4-5-12-14(13)11(9-17-12)15(18)16-10(2)7-8-20-16/h4-9,17H,3H2,1-2H3.
What are the key properties of (4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone?
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 285.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 83163405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).