methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate

C14H14O4S — CID 82884896

IUPACmethyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate
SMILESCCc1ccc(C(=O)c2ccc(CC(=O)OC)s2)o1
InChIInChI=1S/C14H14O4S/c1-3-9-4-6-11(18-9)14(16)12-7-5-10(19-12)8-13(15)17-2/h4-7H,3,8H2,1-2H3
InChIKeyPHLCMQYROXLPNF-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.85
Rot. Bonds5

About methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate

methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate (PubChem CID 82884896) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate
PubChem CID82884896
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Namemethyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate
SMILESCCc1ccc(C(=O)c2ccc(CC(=O)OC)s2)o1
InChIInChI=1S/C14H14O4S/c1-3-9-4-6-11(18-9)14(16)12-7-5-10(19-12)8-13(15)17-2/h4-7H,3,8H2,1-2H3
InChIKeyPHLCMQYROXLPNF-UHFFFAOYSA-N
XLogP2.85
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-butanoylthiophen-2-yl)acetate
CID 13224044
methyl 2-[5-(2-iodobenzoyl)thiophen-2-yl]acetate
CID 82885233
methyl 2-[5-(2,4,6-trifluorobenzoyl)thiophen-2-yl]acetate
CID 82885826
methyl 2-[5-(3-methylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884899
methyl 2-[5-(4-propan-2-ylbenzoyl)thiophen-2-yl]acetate
CID 82886030
methyl 2-[5-(3,4-difluorobenzoyl)thiophen-2-yl]acetate
CID 82885335
methyl 2-[5-[2-(3,4-dimethylphenyl)acetyl]thiophen-2-yl]acetate
CID 82886040
methyl 2-[5-(3-bromo-5-fluorobenzoyl)thiophen-2-yl]acetate
CID 82884625
methyl 2-[5-(3-bromo-5-chlorobenzoyl)thiophen-2-yl]acetate
CID 107950021
methyl 2-[5-(2,2-dimethylcyclopropanecarbonyl)thiophen-2-yl]acetate
CID 107000815
(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102826505
(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102762955

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate?
The IUPAC name of methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate (CID 82884896) is methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate.
What is the SMILES notation for methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate?
The canonical SMILES for methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate is CCc1ccc(C(=O)c2ccc(CC(=O)OC)s2)o1.
What is the InChIKey of methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate?
The InChIKey is PHLCMQYROXLPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-3-9-4-6-11(18-9)14(16)12-7-5-10(19-12)8-13(15)17-2/h4-7H,3,8H2,1-2H3.
What are the key properties of methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate?
methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate has a molecular weight of 278.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate is sourced from PubChem (CID 82884896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).