2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide

C13H20N2O3S — CID 82179960

IUPAC2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)(=O)CCN)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-9-6-10(2)13(11(3)7-9)15-12(16)8-19(17,18)5-4-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyBDSJXWHASUJIAE-UHFFFAOYSA-N
MW284.38 g/mol
LogP0.92
Rot. Bonds5

About 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide

2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 82179960) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID82179960
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)(=O)CCN)c(C)c1
InChIInChI=1S/C13H20N2O3S/c1-9-6-10(2)13(11(3)7-9)15-12(16)8-19(17,18)5-4-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16)
InChIKeyBDSJXWHASUJIAE-UHFFFAOYSA-N
XLogP0.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
CID 82179953
2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
CID 82180091
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
4-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfonyl-N-(2,4,6-trimethylphenyl)butanamide
CID 94088031
3-amino-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]propanamide;hydrochloride
CID 119269153
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
2-[methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]acetamide
CID 9338949
2-[methyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 30464677
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 86925990
2-amino-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 119291379
N,N'-bis(2,4,6-trimethylphenyl)oxamide
CID 13271247

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide (CID 82179960) is 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CS(=O)(=O)CCN)c(C)c1.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is BDSJXWHASUJIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-6-10(2)13(11(3)7-9)15-12(16)8-19(17,18)5-4-14/h6-7H,4-5,8,14H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 284.38 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 82179960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).