ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate

C15H19NO2S — CID 60811351

IUPACethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1sc2ccccc2c1C
InChIInChI=1S/C15H19NO2S/c1-4-18-14(17)9-16-11(3)15-10(2)12-7-5-6-8-13(12)19-15/h5-8,11,16H,4,9H2,1-3H3
InChIKeyFMGBIXLHYUWMKF-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.42
Rot. Bonds5

About ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate

ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate (PubChem CID 60811351) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate
PubChem CID60811351
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Nameethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate
SMILESCCOC(=O)CNC(C)c1sc2ccccc2c1C
InChIInChI=1S/C15H19NO2S/c1-4-18-14(17)9-16-11(3)15-10(2)12-7-5-6-8-13(12)19-15/h5-8,11,16H,4,9H2,1-3H3
InChIKeyFMGBIXLHYUWMKF-UHFFFAOYSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate?
The IUPAC name of ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate (CID 60811351) is ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate.
What is the SMILES notation for ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate?
The canonical SMILES for ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate is CCOC(=O)CNC(C)c1sc2ccccc2c1C.
What is the InChIKey of ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate?
The InChIKey is FMGBIXLHYUWMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-4-18-14(17)9-16-11(3)15-10(2)12-7-5-6-8-13(12)19-15/h5-8,11,16H,4,9H2,1-3H3.
What are the key properties of ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate?
ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate has a molecular weight of 277.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]acetate is sourced from PubChem (CID 60811351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).