ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate

C19H16O4S — CID 54165251

IUPACethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate
SMILESCCOC(=O)COc1ccc(C(=O)c2cccs2)c2ccccc12
InChIInChI=1S/C19H16O4S/c1-2-22-18(20)12-23-16-10-9-15(13-6-3-4-7-14(13)16)19(21)17-8-5-11-24-17/h3-11H,2,12H2,1H3
InChIKeyOREYYIHTVVZOJW-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.07
Rot. Bonds6

About ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate

ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate (PubChem CID 54165251) has the molecular formula C19H16O4S and a molecular weight of 340.40 g/mol. Its IUPAC name is ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate
PubChem CID54165251
Molecular FormulaC19H16O4S
Molecular Weight340.40 g/mol
Exact Mass340.08
IUPAC Nameethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate
SMILESCCOC(=O)COc1ccc(C(=O)c2cccs2)c2ccccc12
InChIInChI=1S/C19H16O4S/c1-2-22-18(20)12-23-16-10-9-15(13-6-3-4-7-14(13)16)19(21)17-8-5-11-24-17/h3-11H,2,12H2,1H3
InChIKeyOREYYIHTVVZOJW-UHFFFAOYSA-N
XLogP4.07
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate?
The IUPAC name of ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate (CID 54165251) is ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate?
The canonical SMILES for ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate is CCOC(=O)COc1ccc(C(=O)c2cccs2)c2ccccc12.
What is the InChIKey of ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate?
The InChIKey is OREYYIHTVVZOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O4S/c1-2-22-18(20)12-23-16-10-9-15(13-6-3-4-7-14(13)16)19(21)17-8-5-11-24-17/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate?
ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate has a molecular weight of 340.40 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(thiophene-2-carbonyl)naphthalen-1-yl]oxyacetate is sourced from PubChem (CID 54165251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).