ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate

C15H19NO2S — CID 62699635

IUPACethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-3-9-16-14(15(17)18-4-2)12-10-19-13-8-6-5-7-11(12)13/h5-8,10,14,16H,3-4,9H2,1-2H3
InChIKeyICKLMEGJPKBDCS-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.51
Rot. Bonds6

About ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate

ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate (PubChem CID 62699635) has the molecular formula C15H19NO2S and a molecular weight of 277.39 g/mol. Its IUPAC name is ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
PubChem CID62699635
Molecular FormulaC15H19NO2S
Molecular Weight277.39 g/mol
Exact Mass277.11
IUPAC Nameethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
SMILESCCCNC(C(=O)OCC)c1csc2ccccc12
InChIInChI=1S/C15H19NO2S/c1-3-9-16-14(15(17)18-4-2)12-10-19-13-8-6-5-7-11(12)13/h5-8,10,14,16H,3-4,9H2,1-2H3
InChIKeyICKLMEGJPKBDCS-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate
CID 62699634
ethyl 2-(2-hydroxyphenyl)-2-(propylamino)acetate
CID 116684887
ethyl (3S)-3-amino-3-(1-benzothiophen-3-yl)-2-fluoropropanoate;hydrochloride
CID 171248065
methyl 2-(1-benzothiophen-3-yl)-2-(butan-2-ylamino)acetate
CID 62699825
N-[1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 43497207
N-[1-benzothiophen-3-yl-(3-ethylthiophen-2-yl)methyl]propan-1-amine
CID 79973512
1-(1-benzothiophen-3-yl)-N-propylprop-2-yn-1-amine
CID 104995348
1-(1-benzothiophen-3-yl)-N-propylpentan-1-amine
CID 43497176
ethyl 2-[1-benzothiophen-3-yl(hydroxy)methyl]prop-2-enoate
CID 43186432
N-[1-(1-benzothiophen-3-yl)-2-phenylethyl]propan-1-amine
CID 43497218
1-(1-benzothiophen-3-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 43497197
N-[1-benzothiophen-3-yl-(3-bromofuran-2-yl)methyl]propan-1-amine
CID 115861242

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate?
The IUPAC name of ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate (CID 62699635) is ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate.
What is the SMILES notation for ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate?
The canonical SMILES for ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate is CCCNC(C(=O)OCC)c1csc2ccccc12.
What is the InChIKey of ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate?
The InChIKey is ICKLMEGJPKBDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S/c1-3-9-16-14(15(17)18-4-2)12-10-19-13-8-6-5-7-11(12)13/h5-8,10,14,16H,3-4,9H2,1-2H3.
What are the key properties of ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate?
ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate has a molecular weight of 277.39 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-benzothiophen-3-yl)-2-(propylamino)acetate is sourced from PubChem (CID 62699635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).