N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide

C20H20N2O2S — CID 2241313

IUPACN-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESCCOc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-24-17-10-8-16(9-11-17)21-19(23)13-14-25-20-12-7-15-5-3-4-6-18(15)22-20/h3-12H,2,13-14H2,1H3,(H,21,23)
InChIKeyPRUHHAYOXKDWML-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.75
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide

N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide (PubChem CID 2241313) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
PubChem CID2241313
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide
SMILESCCOc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-2-24-17-10-8-16(9-11-17)21-19(23)13-14-25-20-12-7-15-5-3-4-6-18(15)22-20/h3-12H,2,13-14H2,1H3,(H,21,23)
InChIKeyPRUHHAYOXKDWML-UHFFFAOYSA-N
XLogP4.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide (CID 2241313) is N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide is CCOc1ccc(NC(=O)CCSc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
The InChIKey is PRUHHAYOXKDWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-2-24-17-10-8-16(9-11-17)21-19(23)13-14-25-20-12-7-15-5-3-4-6-18(15)22-20/h3-12H,2,13-14H2,1H3,(H,21,23).
What are the key properties of N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide?
N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 2241313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).