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

C14H21NO2S — CID 42912739

IUPAC2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)SCCO)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-9-7-10(2)13(11(3)8-9)15-14(17)12(4)18-6-5-16/h7-8,12,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyOZJBZMZVAYTVMZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.66
Rot. Bonds5

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

2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide (PubChem CID 42912739) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide.

Molecular Properties

Compound Name2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
PubChem CID42912739
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
SMILESCc1cc(C)c(NC(=O)C(C)SCCO)c(C)c1
InChIInChI=1S/C14H21NO2S/c1-9-7-10(2)13(11(3)8-9)15-14(17)12(4)18-6-5-16/h7-8,12,16H,5-6H2,1-4H3,(H,15,17)
InChIKeyOZJBZMZVAYTVMZ-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenoxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84603220
2-(2-hydroxyethylsulfanyl)-N-(3-methylphenyl)propanamide
CID 42912749
(2S)-2-[(4-bromophenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)propanamide
CID 2542823
2-cyano-N-(2,4,6-trimethylphenyl)propanamide
CID 55207019
(2R)-2-amino-3-methyl-N-(2,4,6-trimethylphenyl)butanamide
CID 79011703
1-N,2-N,3-N-tris(2,4,6-trimethylphenyl)propane-1,2,3-tricarboxamide
CID 67992232
2-propyl-N-(2,4,6-trimethylphenyl)pentanamide
CID 11841490
(2R)-2-[2-(2-ethoxyanilino)-2-oxoethyl]sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 1412138
(2S)-2-(1-adamantylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 8513385
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737186
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737187
N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463922

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide?
The IUPAC name of 2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide (CID 42912739) is 2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide.
What is the SMILES notation for 2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide?
The canonical SMILES for 2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide is Cc1cc(C)c(NC(=O)C(C)SCCO)c(C)c1.
What is the InChIKey of 2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide?
The InChIKey is OZJBZMZVAYTVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-9-7-10(2)13(11(3)8-9)15-14(17)12(4)18-6-5-16/h7-8,12,16H,5-6H2,1-4H3,(H,15,17).
What are the key properties of 2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide?
2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide has a molecular weight of 267.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide is sourced from PubChem (CID 42912739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).