(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide

C21H22N2OS — CID 7754781

IUPAC(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ccc2ccccc2n1)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C21H22N2OS/c1-15(17-8-4-3-5-9-17)14-22-21(24)16(2)25-20-13-12-18-10-6-7-11-19(18)23-20/h3-13,15-16H,14H2,1-2H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyMBRRSAALZGPCQV-HOTGVXAUSA-N
MW350.49 g/mol
LogP4.64
Rot. Bonds6

About (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide

(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide (PubChem CID 7754781) has the molecular formula C21H22N2OS and a molecular weight of 350.49 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
PubChem CID7754781
Molecular FormulaC21H22N2OS
Molecular Weight350.49 g/mol
Exact Mass350.15
IUPAC Name(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide
SMILESC[C@H](Sc1ccc2ccccc2n1)C(=O)NC[C@H](C)c1ccccc1
InChIInChI=1S/C21H22N2OS/c1-15(17-8-4-3-5-9-17)14-22-21(24)16(2)25-20-13-12-18-10-6-7-11-19(18)23-20/h3-13,15-16H,14H2,1-2H3,(H,22,24)/t15-,16-/m0/s1
InChIKeyMBRRSAALZGPCQV-HOTGVXAUSA-N
XLogP4.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propyl-2-quinolin-2-ylsulfanylpropanamide
CID 51233888
(2R)-2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2R)-2-phenylpropyl]propanamide
CID 7756809
(2R)-2-quinolin-2-ylsulfanylpropanoic acid
CID 950909
N-tert-butyl-2-quinolin-2-ylsulfanylpropanamide
CID 17416780
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384
[(2R)-1-oxo-1-[[(2R)-2-phenylpropyl]amino]propan-2-yl] quinoline-2-carboxylate
CID 7812636
(2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-quinolin-2-ylsulfanylpropanamide
CID 7755383
(2S)-2-(4-methylphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 39758716
(2S)-2-(4-methoxyphenyl)sulfanyl-N-[(2S)-2-phenylpropyl]propanamide
CID 51546952
ethyl 2-quinolin-2-ylsulfanylpropanoate
CID 46302535
(2R)-N-(2-phenylphenyl)-2-quinolin-2-ylsulfanylpropanamide
CID 7754955
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 51325265

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide?
The IUPAC name of (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide (CID 7754781) is (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide?
The canonical SMILES for (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide is C[C@H](Sc1ccc2ccccc2n1)C(=O)NC[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide?
The InChIKey is MBRRSAALZGPCQV-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H22N2OS/c1-15(17-8-4-3-5-9-17)14-22-21(24)16(2)25-20-13-12-18-10-6-7-11-19(18)23-20/h3-13,15-16H,14H2,1-2H3,(H,22,24)/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide?
(2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide has a molecular weight of 350.49 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-phenylpropyl]-2-quinolin-2-ylsulfanylpropanamide is sourced from PubChem (CID 7754781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).