2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone

C17H17NO2S — CID 80649251

IUPAC2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCCOc1ccc2c(ccn2CC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C17H17NO2S/c1-3-20-14-5-6-15-13(10-14)8-9-18(15)11-16(19)17-7-4-12(2)21-17/h4-10H,3,11H2,1-2H3
InChIKeyHJLYEBCNHTWAJY-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.29
Rot. Bonds5

About 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone

2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone (PubChem CID 80649251) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
PubChem CID80649251
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
SMILESCCOc1ccc2c(ccn2CC(=O)c2ccc(C)s2)c1
InChIInChI=1S/C17H17NO2S/c1-3-20-14-5-6-15-13(10-14)8-9-18(15)11-16(19)17-7-4-12(2)21-17/h4-10H,3,11H2,1-2H3
InChIKeyHJLYEBCNHTWAJY-UHFFFAOYSA-N
XLogP4.29
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-methylindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone
CID 63554603
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
1-(5-bromothiophen-2-yl)-2-(5-methoxyindol-1-yl)ethanone
CID 62023000
1-(5-ethoxyindol-1-yl)-3-methylpentan-2-one
CID 80643029
1-(5-chlorothiophen-2-yl)-2-(5-methylindol-1-yl)ethanone
CID 63554614
1-cyclohexyl-2-(5-ethoxyindol-1-yl)ethanone
CID 104751578
N-cyclopropyl-2-(5-ethoxyindol-1-yl)-N-ethylacetamide
CID 116623952
N-(cyclopropylmethyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 116624063
ethyl 4-(5-ethoxyindol-1-yl)-3-hydroxybutanoate
CID 82771296
N-(4-butylphenyl)-2-(5-ethoxyindol-1-yl)acetamide
CID 110830896
(Z)-4-(5-ethoxyindol-1-yl)-2-methylbut-2-enoic acid
CID 80643016
2-chloro-3-(5-ethoxyindol-1-yl)propanoic acid
CID 113398041

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone (CID 80649251) is 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone is CCOc1ccc2c(ccn2CC(=O)c2ccc(C)s2)c1.
What is the InChIKey of 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
The InChIKey is HJLYEBCNHTWAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-3-20-14-5-6-15-13(10-14)8-9-18(15)11-16(19)17-7-4-12(2)21-17/h4-10H,3,11H2,1-2H3.
What are the key properties of 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone?
2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone has a molecular weight of 299.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxyindol-1-yl)-1-(5-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 80649251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).