(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide

C18H16N2O2S — CID 42272463

IUPAC(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C18H16N2O2S/c1-12(18(22)19-14-6-4-7-15(21)11-14)23-17-10-9-13-5-2-3-8-16(13)20-17/h2-12,21H,1H3,(H,19,22)/t12-/m0/s1
InChIKeyGFSYHWDALCJHFJ-LBPRGKRZSA-N
MW324.41 g/mol
LogP4.06
Rot. Bonds4

About (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide

(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide (PubChem CID 42272463) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
PubChem CID42272463
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC Name(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C18H16N2O2S/c1-12(18(22)19-14-6-4-7-15(21)11-14)23-17-10-9-13-5-2-3-8-16(13)20-17/h2-12,21H,1H3,(H,19,22)/t12-/m0/s1
InChIKeyGFSYHWDALCJHFJ-LBPRGKRZSA-N
XLogP4.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272462
(2R)-N-(4-methoxyphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 42272522
(2R)-2-quinolin-2-ylsulfanyl-N-(2,4,6-trichlorophenyl)propanamide
CID 7754952
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7755383
N-(3-hydroxyphenyl)-2-([1,2,4]triazolo[4,3-a]quinolin-1-ylsulfanyl)propanamide
CID 46303602
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-quinolin-2-ylsulfanylpropanamide
CID 46301712
2-quinolin-2-ylsulfanyl-N-(2,3,4-trifluorophenyl)propanamide
CID 17431422
2-(4-chlorophenyl)sulfanyl-N-(3-hydroxyphenyl)propanamide
CID 78783827

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide (CID 42272463) is (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide is C[C@H](Sc1ccc2ccccc2n1)C(=O)Nc1cccc(O)c1.
What is the InChIKey of (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide?
The InChIKey is GFSYHWDALCJHFJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16N2O2S/c1-12(18(22)19-14-6-4-7-15(21)11-14)23-17-10-9-13-5-2-3-8-16(13)20-17/h2-12,21H,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide?
(2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide has a molecular weight of 324.41 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-hydroxyphenyl)-2-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 42272463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).