(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate

C15H12O5S — CID 18151557

IUPAC(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
SMILESCOC(=O)COC(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C15H12O5S/c1-19-13(16)9-20-15(18)11-6-3-2-5-10(11)14(17)12-7-4-8-21-12/h2-8H,9H2,1H3
InChIKeyDNQBGEFRFDUSQY-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.31
Rot. Bonds5

About (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate

(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate (PubChem CID 18151557) has the molecular formula C15H12O5S and a molecular weight of 304.32 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
PubChem CID18151557
Molecular FormulaC15H12O5S
Molecular Weight304.32 g/mol
Exact Mass304.04
IUPAC Name(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate
SMILESCOC(=O)COC(=O)c1ccccc1C(=O)c1cccs1
InChIInChI=1S/C15H12O5S/c1-19-13(16)9-20-15(18)11-6-3-2-5-10(11)14(17)12-7-4-8-21-12/h2-8H,9H2,1H3
InChIKeyDNQBGEFRFDUSQY-UHFFFAOYSA-N
XLogP2.31
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55367076
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55423830
3-thiophen-2-ylpropyl 2-(thiophene-2-carbonyl)benzoate
CID 11960620
[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 18202620
[2-oxo-2-(2-thiophen-2-ylethylcarbamoylamino)ethyl] 2-(thiophene-2-carbonyl)benzoate
CID 55386197
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 8835489
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 46608646
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 46811996
(5-methyl-1,2-oxazol-3-yl)methyl 2-(thiophene-2-carbonyl)benzoate
CID 9063187
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(thiophene-2-carbonyl)benzoate
CID 8970571
[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] 2-(thiophene-2-carbonyl)benzoate
CID 46608510
(4-methoxyphenyl)-[2-(thiophene-2-carbonyl)phenyl]methanone
CID 71619058

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate?
The IUPAC name of (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate (CID 18151557) is (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate.
What is the SMILES notation for (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate?
The canonical SMILES for (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate is COC(=O)COC(=O)c1ccccc1C(=O)c1cccs1.
What is the InChIKey of (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate?
The InChIKey is DNQBGEFRFDUSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5S/c1-19-13(16)9-20-15(18)11-6-3-2-5-10(11)14(17)12-7-4-8-21-12/h2-8H,9H2,1H3.
What are the key properties of (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate?
(2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate has a molecular weight of 304.32 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl) 2-(thiophene-2-carbonyl)benzoate is sourced from PubChem (CID 18151557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).