N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide

C20H20N2O2S — CID 983887

IUPACN-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-13-20(22-18-6-4-3-5-17(14)18)25-12-11-19(23)21-15-7-9-16(24-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyFKKMRNUHQCHJCX-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.67
Rot. Bonds6

About N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide

N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide (PubChem CID 983887) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide
PubChem CID983887
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC NameN-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)CCSc2cc(C)c3ccccc3n2)cc1
InChIInChI=1S/C20H20N2O2S/c1-14-13-20(22-18-6-4-3-5-17(14)18)25-12-11-19(23)21-15-7-9-16(24-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyFKKMRNUHQCHJCX-UHFFFAOYSA-N
XLogP4.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide (CID 983887) is N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide is COc1ccc(NC(=O)CCSc2cc(C)c3ccccc3n2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide?
The InChIKey is FKKMRNUHQCHJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-14-13-20(22-18-6-4-3-5-17(14)18)25-12-11-19(23)21-15-7-9-16(24-2)10-8-15/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide?
N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide has a molecular weight of 352.46 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(4-methylquinolin-2-yl)sulfanylpropanamide is sourced from PubChem (CID 983887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).