2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide

C12H18N2O3S — CID 82179953

IUPAC2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CS(=O)(=O)CCN
InChIInChI=1S/C12H18N2O3S/c1-9-4-3-5-10(2)12(9)14-11(15)8-18(16,17)7-6-13/h3-5H,6-8,13H2,1-2H3,(H,14,15)
InChIKeyVETUHIAQOHCWEV-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.62
Rot. Bonds5

About 2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide

2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide (PubChem CID 82179953) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
PubChem CID82179953
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CS(=O)(=O)CCN
InChIInChI=1S/C12H18N2O3S/c1-9-4-3-5-10(2)12(9)14-11(15)8-18(16,17)7-6-13/h3-5H,6-8,13H2,1-2H3,(H,14,15)
InChIKeyVETUHIAQOHCWEV-UHFFFAOYSA-N
XLogP0.62
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopropylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
CID 82180091
2-(2-aminoethylsulfonyl)-N-(2,4,6-trimethylphenyl)acetamide
CID 82179960
2-(2-cyanoethylsulfonyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 96694733
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
CID 82179944
N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926194
N-(2,6-dimethylphenyl)-3-hydroxypropanamide
CID 82112001
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
2-[benzenesulfonyl(methyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 26941914
(2R)-2-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide;hydrochloride
CID 119268629
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
3-[2-(dimethylamino)ethyl-methylsulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 113138157
4-amino-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbutanamide
CID 119267877

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide (CID 82179953) is 2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CS(=O)(=O)CCN.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is VETUHIAQOHCWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-9-4-3-5-10(2)12(9)14-11(15)8-18(16,17)7-6-13/h3-5H,6-8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide?
2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.62, 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-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 82179953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).