ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate

C17H15NO3S — CID 963211

IUPACethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C17H15NO3S/c1-2-21-16(19)11-18-10-13(12-6-3-4-7-14(12)18)17(20)15-8-5-9-22-15/h3-10H,2,11H2,1H3
InChIKeyLHOWOAOXLSQITJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.50
Rot. Bonds5

About ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate

ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate (PubChem CID 963211) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate
PubChem CID963211
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Nameethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
InChIInChI=1S/C17H15NO3S/c1-2-21-16(19)11-18-10-13(12-6-3-4-7-14(12)18)17(20)15-8-5-9-22-15/h3-10H,2,11H2,1H3
InChIKeyLHOWOAOXLSQITJ-UHFFFAOYSA-N
XLogP3.50
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate (CID 963211) is ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate is CCOC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21.
What is the InChIKey of ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate?
The InChIKey is LHOWOAOXLSQITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c1-2-21-16(19)11-18-10-13(12-6-3-4-7-14(12)18)17(20)15-8-5-9-22-15/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate?
ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate has a molecular weight of 313.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(thiophene-2-carbonyl)indol-1-yl]acetate is sourced from PubChem (CID 963211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).