N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide

C19H18N2O2S — CID 755894

IUPACN-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-2-23-16-10-8-15(9-11-16)20-18(22)13-24-19-12-7-14-5-3-4-6-17(14)21-19/h3-12H,2,13H2,1H3,(H,20,22)
InChIKeyJURGVNFHNNXRBX-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.36
Rot. Bonds6

About N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide

N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide (PubChem CID 755894) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
PubChem CID755894
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide
SMILESCCOc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-2-23-16-10-8-15(9-11-16)20-18(22)13-24-19-12-7-14-5-3-4-6-17(14)21-19/h3-12H,2,13H2,1H3,(H,20,22)
InChIKeyJURGVNFHNNXRBX-UHFFFAOYSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide (CID 755894) is N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide is CCOc1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
The InChIKey is JURGVNFHNNXRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-23-16-10-8-15(9-11-16)20-18(22)13-24-19-12-7-14-5-3-4-6-17(14)21-19/h3-12H,2,13H2,1H3,(H,20,22).
What are the key properties of N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide?
N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide has a molecular weight of 338.43 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-quinolin-2-ylsulfanylacetamide is sourced from PubChem (CID 755894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).