N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide

C14H22N2O3S — CID 112997037

IUPACN-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C14H22N2O3S/c1-4-9-20(18,19)15-10-13(17)16-14-11(3)7-6-8-12(14)5-2/h6-8,15H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyFHNUCDHPUOXPRB-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.83
Rot. Bonds7

About N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide

N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide (PubChem CID 112997037) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide
PubChem CID112997037
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide
SMILESCCCS(=O)(=O)NCC(=O)Nc1c(C)cccc1CC
InChIInChI=1S/C14H22N2O3S/c1-4-9-20(18,19)15-10-13(17)16-14-11(3)7-6-8-12(14)5-2/h6-8,15H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyFHNUCDHPUOXPRB-UHFFFAOYSA-N
XLogP1.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)sulfonylamino]acetamide
CID 112997077
N-(2,6-dichlorophenyl)-2-(propylsulfonylamino)acetamide
CID 113001455
N-(2,6-dimethylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 33004349
N-(2-ethyl-6-methylphenyl)-2-[(4-fluoro-2-methylphenyl)sulfonylamino]acetamide
CID 112997050
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]pentanamide
CID 112996980
N-(2-ethyl-6-methylphenyl)tetradecanamide
CID 54789893
N-(2-ethyl-6-methylphenyl)-4-oxopentanamide
CID 11839711
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
N'-(2-ethyl-6-methylphenyl)butanediamide
CID 82041304
N'-(2-ethyl-6-methylphenyl)-N-(2-methylpropyl)propanediamide
CID 108941644
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] acetate
CID 2109366

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide (CID 112997037) is N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide is CCCS(=O)(=O)NCC(=O)Nc1c(C)cccc1CC.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide?
The InChIKey is FHNUCDHPUOXPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-9-20(18,19)15-10-13(17)16-14-11(3)7-6-8-12(14)5-2/h6-8,15H,4-5,9-10H2,1-3H3,(H,16,17).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide?
N-(2-ethyl-6-methylphenyl)-2-(propylsulfonylamino)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.83, 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-(propylsulfonylamino)acetamide is sourced from PubChem (CID 112997037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).