(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide

C19H23NO2S — CID 94027584

IUPAC(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C
InChIInChI=1S/C19H23NO2S/c1-5-23-18-12-7-6-10-16(18)20-19(21)15(4)22-17-11-8-9-13(2)14(17)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyKWNARQWYGQRFAK-HNNXBMFYSA-N
MW329.47 g/mol
LogP4.82
Rot. Bonds6

About (2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide

(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide (PubChem CID 94027584) 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-ethylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
PubChem CID94027584
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide
SMILESCCSc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C
InChIInChI=1S/C19H23NO2S/c1-5-23-18-12-7-6-10-16(18)20-19(21)15(4)22-17-11-8-9-13(2)14(17)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1
InChIKeyKWNARQWYGQRFAK-HNNXBMFYSA-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

(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
(2S)-2-(2-chlorophenoxy)-N-(2-ethylsulfanylphenyl)propanamide
CID 92675918
N-(2,3-dimethylphenyl)-2-(2-ethylphenoxy)propanamide
CID 43907389
(2S)-N-(2-bromophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 891226
N-(2-ethylsulfanylphenyl)-2-phenoxypropanamide
CID 132650139
(2S)-N-(2-ethylsulfanylphenyl)-2-(2-methylphenoxy)butanamide
CID 92674524
(2S)-N-(2-cyanophenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 7668733
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 28577689
2-(2,3-dimethylphenoxy)-N-phenylpropanamide
CID 43909351
(2R)-N-(2-ethylsulfanylphenyl)-2-(4-methoxyphenoxy)propanamide
CID 28568404
2-(2,3-dimethylphenoxy)-N-(2-nitrophenyl)propanamide
CID 53266753
2-[[(2R)-2-(2,3-dimethylphenoxy)propanoyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 38008079

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide (CID 94027584) is (2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide is CCSc1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1C.
What is the InChIKey of (2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
The InChIKey is KWNARQWYGQRFAK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-5-23-18-12-7-6-10-16(18)20-19(21)15(4)22-17-11-8-9-13(2)14(17)3/h6-12,15H,5H2,1-4H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide?
(2S)-2-(2,3-dimethylphenoxy)-N-(2-ethylsulfanylphenyl)propanamide 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-ethylsulfanylphenyl)propanamide is sourced from PubChem (CID 94027584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).