N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

C15H23NO2S — CID 66102896

IUPACN-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSCC(C)CO
InChIInChI=1S/C15H23NO2S/c1-4-13-7-5-6-12(3)15(13)16-14(18)10-19-9-11(2)8-17/h5-7,11,17H,4,8-10H2,1-3H3,(H,16,18)
InChIKeyHUIFFMOLHGJZKX-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.86
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide

N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (PubChem CID 66102896) has the molecular formula C15H23NO2S and a molecular weight of 281.42 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
PubChem CID66102896
Molecular FormulaC15H23NO2S
Molecular Weight281.42 g/mol
Exact Mass281.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide
SMILESCCc1cccc(C)c1NC(=O)CSCC(C)CO
InChIInChI=1S/C15H23NO2S/c1-4-13-7-5-6-12(3)15(13)16-14(18)10-19-9-11(2)8-17/h5-7,11,17H,4,8-10H2,1-3H3,(H,16,18)
InChIKeyHUIFFMOLHGJZKX-UHFFFAOYSA-N
XLogP2.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
2-[2-(dimethylamino)ethylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 134064956
N-(2-ethyl-6-methylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]acetamide
CID 28631186
2-[(3-bromophenyl)methylsulfanyl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 30546775
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(2,6-dimethylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropanamide
CID 111463922
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
tert-butyl N-[2-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanylethyl]carbamate
CID 84553630
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(2-propan-2-ylphenyl)acetamide
CID 66103390
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 2553207
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide (CID 66102896) is N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is CCc1cccc(C)c1NC(=O)CSCC(C)CO.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
The InChIKey is HUIFFMOLHGJZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2S/c1-4-13-7-5-6-12(3)15(13)16-14(18)10-19-9-11(2)8-17/h5-7,11,17H,4,8-10H2,1-3H3,(H,16,18).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide?
N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide has a molecular weight of 281.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylacetamide is sourced from PubChem (CID 66102896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).