(2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate

C11H14O4S — CID 54165480

IUPAC(2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate
SMILESCCOC(=O)COC(=O)Cc1sccc1C
InChIInChI=1S/C11H14O4S/c1-3-14-11(13)7-15-10(12)6-9-8(2)4-5-16-9/h4-5H,3,6-7H2,1-2H3
InChIKeyORIWBORVHBFSQX-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.71
Rot. Bonds5

About (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate

(2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate (PubChem CID 54165480) has the molecular formula C11H14O4S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate
PubChem CID54165480
Molecular FormulaC11H14O4S
Molecular Weight242.30 g/mol
Exact Mass242.06
IUPAC Name(2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate
SMILESCCOC(=O)COC(=O)Cc1sccc1C
InChIInChI=1S/C11H14O4S/c1-3-14-11(13)7-15-10(12)6-9-8(2)4-5-16-9/h4-5H,3,6-7H2,1-2H3
InChIKeyORIWBORVHBFSQX-UHFFFAOYSA-N
XLogP1.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
N-methyl-2-(3-methylthiophen-2-yl)acetamide
CID 67628204
ethyl 2-[(3-methylthiophen-2-yl)amino]acetate
CID 115257254
2-[(3-methylthiophen-2-yl)methyl]prop-2-enoic acid
CID 116866302
ethyl 3-[(3-methylthiophen-2-yl)amino]-3-oxopropanoate
CID 115138478
ethyl 2-amino-2-(3-methylthiophen-2-yl)acetate
CID 4654193
ethyl 2-(3,4-difluorothiophen-2-yl)acetate
CID 70546503
ethyl 2-[methyl-(3-methylthiophen-2-yl)amino]acetate
CID 115257352
ethyl 2-(2-benzothiophen-1-yl)acetate
CID 125467853
(2-ethoxy-2-oxoethyl) propanoate
CID 13301802
ethyl 2-[(3-methylthiophen-2-yl)methyl-(phenylcarbamoyl)amino]acetate
CID 4187952
ethyl 2-(thionin-2-yl)acetate
CID 174897632

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate?
The IUPAC name of (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate (CID 54165480) is (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate.
What is the SMILES notation for (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate?
The canonical SMILES for (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate is CCOC(=O)COC(=O)Cc1sccc1C.
What is the InChIKey of (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate?
The InChIKey is ORIWBORVHBFSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4S/c1-3-14-11(13)7-15-10(12)6-9-8(2)4-5-16-9/h4-5H,3,6-7H2,1-2H3.
What are the key properties of (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate?
(2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate has a molecular weight of 242.30 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl) 2-(3-methylthiophen-2-yl)acetate is sourced from PubChem (CID 54165480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).