ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate

C14H14N2O3S — CID 2394340

IUPACethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate
SMILESCCOC(=O)NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C14H14N2O3S/c1-2-19-14(18)16-12(17)9-20-13-8-7-10-5-3-4-6-11(10)15-13/h3-8H,2,9H2,1H3,(H,16,17,18)
InChIKeyCUAJLIXPDPLUQQ-UHFFFAOYSA-N
MW290.34 g/mol
LogP2.60
Rot. Bonds4

About ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate

ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate (PubChem CID 2394340) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate.

Molecular Properties

Compound Nameethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate
PubChem CID2394340
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Nameethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate
SMILESCCOC(=O)NC(=O)CSc1ccc2ccccc2n1
InChIInChI=1S/C14H14N2O3S/c1-2-19-14(18)16-12(17)9-20-13-8-7-10-5-3-4-6-11(10)15-13/h3-8H,2,9H2,1H3,(H,16,17,18)
InChIKeyCUAJLIXPDPLUQQ-UHFFFAOYSA-N
XLogP2.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate?
The IUPAC name of ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate (CID 2394340) is ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate.
What is the SMILES notation for ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate?
The canonical SMILES for ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate is CCOC(=O)NC(=O)CSc1ccc2ccccc2n1.
What is the InChIKey of ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate?
The InChIKey is CUAJLIXPDPLUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-2-19-14(18)16-12(17)9-20-13-8-7-10-5-3-4-6-11(10)15-13/h3-8H,2,9H2,1H3,(H,16,17,18).
What are the key properties of ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate?
ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate has a molecular weight of 290.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-quinolin-2-ylsulfanylacetyl)carbamate is sourced from PubChem (CID 2394340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).