ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate

C20H20O2S — CID 117048785

IUPACethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
SMILESCCOC(=O)C(C)(Cc1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C20H20O2S/c1-3-22-19(21)20(2,14-18-9-6-12-23-18)17-11-10-15-7-4-5-8-16(15)13-17/h4-13H,3,14H2,1-2H3
InChIKeyRRDZTJPGWAJDIR-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.96
Rot. Bonds5

About ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate

ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate (PubChem CID 117048785) has the molecular formula C20H20O2S and a molecular weight of 324.45 g/mol. Its IUPAC name is ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
PubChem CID117048785
Molecular FormulaC20H20O2S
Molecular Weight324.45 g/mol
Exact Mass324.12
IUPAC Nameethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate
SMILESCCOC(=O)C(C)(Cc1cccs1)c1ccc2ccccc2c1
InChIInChI=1S/C20H20O2S/c1-3-22-19(21)20(2,14-18-9-6-12-23-18)17-11-10-15-7-4-5-8-16(15)13-17/h4-13H,3,14H2,1-2H3
InChIKeyRRDZTJPGWAJDIR-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-3-fluoro-2-methyl-2-naphthalen-2-ylpropanoate
CID 155818749
ethyl 5-amino-2-methyl-2-naphthalen-2-ylpentanoate
CID 117049792
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxopropan-2-yl)sulfanyl-2-naphthalen-2-ylpropanoate
CID 70225025
ethyl 2,2-difluoro-2-naphthalen-2-ylacetate
CID 12585543
ethyl 2-(aminomethyl)-2-(3-methylphenyl)-3-thiophen-2-ylpropanoate
CID 106490696
ethyl 2-(1-ethoxy-2-naphthalen-2-yl-1-oxobutan-2-yl)sulfanyl-2-naphthalen-2-ylbutanoate
CID 70222692
ethyl (2R)-2-cyano-2-naphthalen-2-yl-2-phenylacetate
CID 101110607
ethyl (2R)-2-(furan-2-carbonylamino)-2-naphthalen-2-ylpropanoate
CID 66813687
2-amino-3-[(2-methylpropan-2-yl)oxy]-2-naphthalen-2-yl-3-oxopropanoic acid
CID 57348993
diethyl 2-(2-methylpropyl)-2-(thiophen-2-ylmethyl)propanedioate
CID 103972795
3-amino-3-methyl-4-thiophen-2-ylbutanoic acid
CID 83531714
diethyl 2,2-bis(naphthalen-2-ylmethyl)propanedioate
CID 135347063

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate?
The IUPAC name of ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate (CID 117048785) is ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate.
What is the SMILES notation for ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate?
The canonical SMILES for ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate is CCOC(=O)C(C)(Cc1cccs1)c1ccc2ccccc2c1.
What is the InChIKey of ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate?
The InChIKey is RRDZTJPGWAJDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2S/c1-3-22-19(21)20(2,14-18-9-6-12-23-18)17-11-10-15-7-4-5-8-16(15)13-17/h4-13H,3,14H2,1-2H3.
What are the key properties of ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate?
ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate has a molecular weight of 324.45 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-naphthalen-2-yl-3-thiophen-2-ylpropanoate is sourced from PubChem (CID 117048785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).