(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone

C15H13NO2S — CID 80643738

IUPAC(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
SMILESCCOc1ccc2[nH]cc(C(=O)c3cccs3)c2c1
InChIInChI=1S/C15H13NO2S/c1-2-18-10-5-6-13-11(8-10)12(9-16-13)15(17)14-4-3-7-19-14/h3-9,16H,2H2,1H3
InChIKeyYXTKJPMEQJRWGR-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.86
Rot. Bonds4

About (5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone

(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone (PubChem CID 80643738) has the molecular formula C15H13NO2S and a molecular weight of 271.34 g/mol. Its IUPAC name is (5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
PubChem CID80643738
Molecular FormulaC15H13NO2S
Molecular Weight271.34 g/mol
Exact Mass271.07
IUPAC Name(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone
SMILESCCOc1ccc2[nH]cc(C(=O)c3cccs3)c2c1
InChIInChI=1S/C15H13NO2S/c1-2-18-10-5-6-13-11(8-10)12(9-16-13)15(17)14-4-3-7-19-14/h3-9,16H,2H2,1H3
InChIKeyYXTKJPMEQJRWGR-UHFFFAOYSA-N
XLogP3.86
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethoxy-1H-indol-3-yl)-(3-methylthiophen-2-yl)methanone
CID 80643241
(5-ethoxy-1H-indol-3-yl)-(3-methylphenyl)methanone
CID 80649082
(5-chlorofuran-2-yl)-(5-ethoxy-1H-indol-3-yl)methanone
CID 106683863
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
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
1-(5-ethoxy-1H-indol-3-yl)-3,4,4-trimethylpentan-1-one
CID 80649085
5-ethoxy-3-methyl-1H-indole
CID 82490542
6-ethoxy-3-(3-methoxybenzoyl)-1H-quinolin-4-one
CID 4609629
ethyl 3-methyl-4-(thiophene-2-carbonyl)-1H-pyrrole-2-carboxylate
CID 102534196
(2-hydroxy-4-propoxyphenyl)-thiophen-2-ylmethanone
CID 5151105
(5-methoxy-1H-indol-3-yl)-(3-methoxythiophen-2-yl)methanone
CID 81127463

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone (CID 80643738) is (5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone is CCOc1ccc2[nH]cc(C(=O)c3cccs3)c2c1.
What is the InChIKey of (5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone?
The InChIKey is YXTKJPMEQJRWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2S/c1-2-18-10-5-6-13-11(8-10)12(9-16-13)15(17)14-4-3-7-19-14/h3-9,16H,2H2,1H3.
What are the key properties of (5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone?
(5-ethoxy-1H-indol-3-yl)-thiophen-2-ylmethanone has a molecular weight of 271.34 g/mol, XLogP of 3.86, 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)-thiophen-2-ylmethanone is sourced from PubChem (CID 80643738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).