N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide

C15H23NO2S — CID 111463922

IUPACN-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)SCC(C)CO
InChIInChI=1S/C15H23NO2S/c1-10(8-17)9-19-13(4)15(18)16-14-11(2)6-5-7-12(14)3/h5-7,10,13,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyCNPWLLIZMLIXOO-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.99
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide

N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide (PubChem CID 111463922) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
PubChem CID111463922
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
SMILESCc1cccc(C)c1NC(=O)C(C)SCC(C)CO
InChIInChI=1S/C15H23NO2S/c1-10(8-17)9-19-13(4)15(18)16-14-11(2)6-5-7-12(14)3/h5-7,10,13,17H,8-9H2,1-4H3,(H,16,18)
InChIKeyCNPWLLIZMLIXOO-UHFFFAOYSA-N
XLogP2.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-fluoro-2-methylphenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
CID 96566270
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
CID 66102896
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
N-(2,4-difluorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463782
(2S)-N-(5-chloro-2-fluorophenyl)-2-[(2R)-3-hydroxy-2-methylpropyl]sulfanylpropanamide
CID 95968650
N-(2-amino-4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 66103984
N-(2,6-dimethylphenyl)-2-[hydroxymethyl(1-hydroxypropan-2-yl)amino]propanamide
CID 20978214
(2S)-N-(2,6-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734738
N-(2,6-dimethylphenyl)-2-(3-methylphenyl)sulfanylpropanamide
CID 60594153
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
2-(2-hydroxyethylsulfanyl)-N-(2,4,6-trimethylphenyl)propanamide
CID 42912739
[(2R)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 8539552

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide (CID 111463922) is N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide is Cc1cccc(C)c1NC(=O)C(C)SCC(C)CO.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
The InChIKey is CNPWLLIZMLIXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-10(8-17)9-19-13(4)15(18)16-14-11(2)6-5-7-12(14)3/h5-7,10,13,17H,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide?
N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide has a molecular weight of 281.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide is sourced from PubChem (CID 111463922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).