2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide

C20H25NO2S — CID 84603220

IUPAC2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)SCCOc2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO2S/c1-14-12-15(2)19(16(3)13-14)21-20(22)17(4)24-11-10-23-18-8-6-5-7-9-18/h5-9,12-13,17H,10-11H2,1-4H3,(H,21,22)
InChIKeyBYQMKJFFAWENJN-UHFFFAOYSA-N
MW343.49 g/mol
LogP4.75
Rot. Bonds7

About 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide

2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 84603220) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID84603220
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)SCCOc2ccccc2)c(C)c1
InChIInChI=1S/C20H25NO2S/c1-14-12-15(2)19(16(3)13-14)21-20(22)17(4)24-11-10-23-18-8-6-5-7-9-18/h5-9,12-13,17H,10-11H2,1-4H3,(H,21,22)
InChIKeyBYQMKJFFAWENJN-UHFFFAOYSA-N
XLogP4.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 42912739
N-phenyl-2-[2-(4-propoxyphenoxy)ethylsulfanyl]propanamide
CID 43041762
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)propanamide
CID 84965791
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-phenoxyethylsulfanyl)propanamide
CID 32513261
N-cyclopropyl-2-[2-(3-methylphenoxy)ethylsulfanyl]propanamide
CID 60541898
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 1412138
N-(2,4-difluorophenyl)-2-[2-(3,5-dimethylphenoxy)ethylsulfanyl]propanamide
CID 46634104
N-(5-chloro-2-methylphenyl)-2-[2-(4-methoxyphenoxy)ethylsulfanyl]propanamide
CID 55436710
3-methyl-2-(2-phenoxyethylsulfanyl)butanoic acid
CID 105353973
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
(2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 2542823
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-phenoxybutanoate
CID 7186295

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide (CID 84603220) is 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)SCCOc2ccccc2)c(C)c1.
What is the InChIKey of 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is BYQMKJFFAWENJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-14-12-15(2)19(16(3)13-14)21-20(22)17(4)24-11-10-23-18-8-6-5-7-9-18/h5-9,12-13,17H,10-11H2,1-4H3,(H,21,22).
What are the key properties of 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide?
2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 343.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 84603220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).