(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide

C19H18N2O2S — CID 42272522

IUPAC(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-13(19(22)20-15-8-10-16(23-2)11-9-15)24-18-12-7-14-5-3-4-6-17(14)21-18/h3-13H,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyJZDLBAWJYSZRCV-CYBMUJFWSA-N
MW338.43 g/mol
LogP4.36
Rot. Bonds5

About (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide

(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide (PubChem CID 42272522) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
PubChem CID42272522
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1
InChIInChI=1S/C19H18N2O2S/c1-13(19(22)20-15-8-10-16(23-2)11-9-15)24-18-12-7-14-5-3-4-6-17(14)21-18/h3-13H,1-2H3,(H,20,22)/t13-/m1/s1
InChIKeyJZDLBAWJYSZRCV-CYBMUJFWSA-N
XLogP4.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

(2R)-1-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropan-1-one
CID 7755097
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272463
(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2S)-N-(4-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 875705
(2S)-2-(2-chlorophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 9432906
(2S)-2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methoxyphenyl)propanamide
CID 40664669
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
CID 7754952
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
2-(2-aminophenyl)sulfanyl-N-(4-methoxyphenyl)propanamide
CID 19059132
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 46301712

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide (CID 42272522) is (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide is COc1ccc(NC(=O)[C@@H](C)Sc2ccc3ccccc3n2)cc1.
What is the InChIKey of (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide?
The InChIKey is JZDLBAWJYSZRCV-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13(19(22)20-15-8-10-16(23-2)11-9-15)24-18-12-7-14-5-3-4-6-17(14)21-18/h3-13H,1-2H3,(H,20,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide?
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide has a molecular weight of 338.43 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 42272522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).