(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide

C19H23NO2S — CID 28577689

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1SC
InChIInChI=1S/C19H23NO2S/c1-5-16(22-17-11-8-9-13(2)14(17)3)19(21)20-15-10-6-7-12-18(15)23-4/h6-12,16H,5H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyMYCVIBUFAQLQGO-INIZCTEOSA-N
MW329.47 g/mol
LogP4.82
Rot. Bonds6

About (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide

(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide (PubChem CID 28577689) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
PubChem CID28577689
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1SC
InChIInChI=1S/C19H23NO2S/c1-5-16(22-17-11-8-9-13(2)14(17)3)19(21)20-15-10-6-7-12-18(15)23-4/h6-12,16H,5H2,1-4H3,(H,20,21)/t16-/m0/s1
InChIKeyMYCVIBUFAQLQGO-INIZCTEOSA-N
XLogP4.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethylphenoxy)-N-(2-propan-2-ylphenyl)butanamide
CID 46763608
(2R)-N-(2-methylsulfanylphenyl)-2-naphthalen-1-yloxybutanamide
CID 94019853
2-[2-(2,3-dimethylphenoxy)butanoylamino]benzamide
CID 53284462
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
2-(2,3-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 46770326
2-(2-methylphenoxy)-N-[2-[2-(2-methylphenoxy)butanoylamino]phenyl]butanamide
CID 4932214
(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
CID 92674524
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-propan-2-ylbenzamide
CID 92674701
(2R)-N-(2,6-diethylphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 99955131
2-(2-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]butanamide
CID 46760567
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 94027584
(2R)-2-(2,3-dimethylphenoxy)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)butanamide
CID 100764945

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide (CID 28577689) is (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1SC.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide?
The InChIKey is MYCVIBUFAQLQGO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-5-16(22-17-11-8-9-13(2)14(17)3)19(21)20-15-10-6-7-12-18(15)23-4/h6-12,16H,5H2,1-4H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide has a molecular weight of 329.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide is sourced from PubChem (CID 28577689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).