methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate

C15H15NO4S — CID 7894213

IUPACmethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)NCc1cccs1
InChIInChI=1S/C15H15NO4S/c1-19-15(18)12-6-2-3-7-13(12)20-10-14(17)16-9-11-5-4-8-21-11/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyZGMSFGGAGSFXJE-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.23
Rot. Bonds6

About methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate

methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate (PubChem CID 7894213) has the molecular formula C15H15NO4S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate
PubChem CID7894213
Molecular FormulaC15H15NO4S
Molecular Weight305.36 g/mol
Exact Mass305.07
IUPAC Namemethyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate
SMILESCOC(=O)c1ccccc1OCC(=O)NCc1cccs1
InChIInChI=1S/C15H15NO4S/c1-19-15(18)12-6-2-3-7-13(12)20-10-14(17)16-9-11-5-4-8-21-11/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyZGMSFGGAGSFXJE-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-formylphenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 7762764
5-methyl-2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoic acid
CID 60652928
N-(thiophen-2-ylmethyl)-2-[3-[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]-2,2-bis[[2-(thiophen-2-ylmethylcarbamoyl)phenoxy]methyl]propoxy]benzamide
CID 102205335
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] naphthalene-1-carboxylate
CID 2364071
2,3-dimethoxy-N-(thiophen-2-ylmethyl)benzamide
CID 17173324
[2-oxo-2-(thiophen-2-ylmethylcarbamoylamino)ethyl] 2-[2-(2-fluoroanilino)-2-oxoethoxy]benzoate
CID 27013528
N-(2-methylphenyl)-3-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]naphthalene-2-carboxamide
CID 17453522
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-cyanophenoxy)acetate
CID 9275268
2-hydroxy-3-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 43242463
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-phenylmethoxybenzoate
CID 28562265
[2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 2-(2-nitrophenoxy)acetate
CID 2626600
2-(4-cyanophenoxy)-N-(thiophen-2-ylmethyl)acetamide
CID 2520951

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate?
The IUPAC name of methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate (CID 7894213) is methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate?
The canonical SMILES for methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate is COC(=O)c1ccccc1OCC(=O)NCc1cccs1.
What is the InChIKey of methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate?
The InChIKey is ZGMSFGGAGSFXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4S/c1-19-15(18)12-6-2-3-7-13(12)20-10-14(17)16-9-11-5-4-8-21-11/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate?
methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate has a molecular weight of 305.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-oxo-2-(thiophen-2-ylmethylamino)ethoxy]benzoate is sourced from PubChem (CID 7894213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).