(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide

C19H23NO2S — CID 92674524

IUPAC(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
SMILESCCSc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C
InChIInChI=1S/C19H23NO2S/c1-4-16(22-17-12-8-6-10-14(17)3)19(21)20-15-11-7-9-13-18(15)23-5-2/h6-13,16H,4-5H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyKTEMOZLISDLJEO-INIZCTEOSA-N
MW329.47 g/mol
LogP4.90
Rot. Bonds7

About (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide

(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide (PubChem CID 92674524) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
PubChem CID92674524
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
SMILESCCSc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C
InChIInChI=1S/C19H23NO2S/c1-4-16(22-17-12-8-6-10-14(17)3)19(21)20-15-11-7-9-13-18(15)23-5-2/h6-13,16H,4-5H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyKTEMOZLISDLJEO-INIZCTEOSA-N
XLogP4.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
N-(2-ethylsulfanylphenyl)-2-phenoxybutanamide
CID 132650621
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
methyl 2-[[(2S)-2-(2-methylphenoxy)butanoyl]amino]benzoate
CID 94019615
2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 46760567
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
(2S)-2-(3-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
CID 92682680
N-(2,4-dichlorophenyl)-2-(2-methylphenoxy)butanamide
CID 4931772
(2R)-N-(4-iodo-2-methylphenyl)-2-(2-methylphenoxy)butanamide
CID 30396590
N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
CID 43916218
(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94019853
methyl 4-methyl-3-[2-(2-methylphenoxy)butanoylamino]benzoate
CID 43916305

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide (CID 92674524) is (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide is CCSc1ccccc1NC(=O)[C@H](CC)Oc1ccccc1C.
What is the InChIKey of (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide?
The InChIKey is KTEMOZLISDLJEO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-4-16(22-17-12-8-6-10-14(17)3)19(21)20-15-11-7-9-13-18(15)23-5-2/h6-13,16H,4-5H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide?
(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide has a molecular weight of 329.47 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 92674524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).