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

C16H15NO2S — CID 80643241

IUPAC(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
SMILESCCOc1ccc2[nH]cc(C(=O)c3sccc3C)c2c1
InChIInChI=1S/C16H15NO2S/c1-3-19-11-4-5-14-12(8-11)13(9-17-14)15(18)16-10(2)6-7-20-16/h4-9,17H,3H2,1-2H3
InChIKeyYKTKKXFZXDWCTH-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.17
Rot. Bonds4

About (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone

(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 80643241) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID80643241
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC Name(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
SMILESCCOc1ccc2[nH]cc(C(=O)c3sccc3C)c2c1
InChIInChI=1S/C16H15NO2S/c1-3-19-11-4-5-14-12(8-11)13(9-17-14)15(18)16-10(2)6-7-20-16/h4-9,17H,3H2,1-2H3
InChIKeyYKTKKXFZXDWCTH-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

(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
CID 80643738
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
(4-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 83163405
5-ethoxy-3-methyl-1H-indole
CID 82490542
(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone
CID 106683863
1-(5-ethoxy-1H-indol-3-yl)heptan-1-one
CID 114752203
1-(5-ethoxy-1H-indol-3-yl)-2-methylpentan-1-one
CID 80642881
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
1-(5-ethoxy-1H-indol-3-yl)-3,4,4-trimethylpentan-1-one
CID 80649085

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone (CID 80643241) is (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone is CCOc1ccc2[nH]cc(C(=O)c3sccc3C)c2c1.
What is the InChIKey of (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is YKTKKXFZXDWCTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-3-19-11-4-5-14-12(8-11)13(9-17-14)15(18)16-10(2)6-7-20-16/h4-9,17H,3H2,1-2H3.
What are the key properties of (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone?
(5-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 (5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 80643241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).