(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide

C18H21NO2S — CID 92685232

IUPAC(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1SC
InChIInChI=1S/C18H21NO2S/c1-4-14-9-5-7-11-16(14)21-13(2)18(20)19-15-10-6-8-12-17(15)22-3/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyLCMJFZNLSGVPAP-CYBMUJFWSA-N
MW315.44 g/mol
LogP4.38
Rot. Bonds6

About (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide

(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 92685232) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
PubChem CID92685232
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
SMILESCCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1SC
InChIInChI=1S/C18H21NO2S/c1-4-14-9-5-7-11-16(14)21-13(2)18(20)19-15-10-6-8-12-17(15)22-3/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1
InChIKeyLCMJFZNLSGVPAP-CYBMUJFWSA-N
XLogP4.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2S)-N-(2,6-diethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 28564810
(2S)-N-(3-chloro-2-methylphenyl)-2-(2-ethylphenoxy)propanamide
CID 92646921
ethyl 2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzoate
CID 92685092
(2S)-2-(2-ethylphenoxy)-N-(4-fluorophenyl)propanamide
CID 99131609
(2R)-2-(2-ethylphenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 30380711
(2S)-2-(2-ethylphenoxy)-N-methylpropanamide
CID 28577058
(2S)-N-(2,5-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 94011869
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
N-tert-butyl-2-[[(2S)-2-(2-ethylphenoxy)propanoyl]amino]benzamide
CID 92683729
2-(2-ethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53284965

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide (CID 92685232) is (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide is CCc1ccccc1O[C@H](C)C(=O)Nc1ccccc1SC.
What is the InChIKey of (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is LCMJFZNLSGVPAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-4-14-9-5-7-11-16(14)21-13(2)18(20)19-15-10-6-8-12-17(15)22-3/h5-13H,4H2,1-3H3,(H,19,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide?
(2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 315.44 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-ethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 92685232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).