2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide

C12H18N2O3S — CID 82179944

IUPAC2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)CCN)cc1
InChIInChI=1S/C12H18N2O3S/c1-2-10-3-5-11(6-4-10)14-12(15)9-18(16,17)8-7-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeySJSUUESOEUUDFS-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.56
Rot. Bonds6

About 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide

2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide (PubChem CID 82179944) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
PubChem CID82179944
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CS(=O)(=O)CCN)cc1
InChIInChI=1S/C12H18N2O3S/c1-2-10-3-5-11(6-4-10)14-12(15)9-18(16,17)8-7-13/h3-6H,2,7-9,13H2,1H3,(H,14,15)
InChIKeySJSUUESOEUUDFS-UHFFFAOYSA-N
XLogP0.56
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-2-(3-hydroxypropylsulfonyl)acetamide
CID 82181831
N-(4-ethylphenyl)-2-[(4-fluorophenyl)methylsulfonyl]acetamide
CID 7731180
N-(4-ethylphenyl)-2-[2-(4-fluorophenyl)-2-oxoethyl]sulfonylacetamide
CID 23409064
4-[[2-(4-ethylanilino)-2-oxoethyl]sulfonylmethyl]benzoate
CID 7731188
2-(3-aminopropylsulfonyl)-N-(4-methoxyphenyl)acetamide
CID 81187922
2-(4-aminobutylsulfonyl)-N-(4-fluorophenyl)acetamide
CID 82180278
2-[(4-ethylphenyl)methylsulfonyl]ethanamine
CID 79017600
2-(2-aminoethylsulfonyl)-N-(2,6-dimethylphenyl)acetamide
CID 82179953
N-(4-ethylphenyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfonyl]acetamide
CID 86925892
4-amino-N-(4-ethylphenyl)-3-methylbutanamide
CID 81071859
N-(4-ethylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147556
2-[tert-butyl(methylsulfonyl)amino]-N-(4-ethylphenyl)acetamide
CID 113152930

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide (CID 82179944) is 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CS(=O)(=O)CCN)cc1.
What is the InChIKey of 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide?
The InChIKey is SJSUUESOEUUDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-2-10-3-5-11(6-4-10)14-12(15)9-18(16,17)8-7-13/h3-6H,2,7-9,13H2,1H3,(H,14,15).
What are the key properties of 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide?
2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide has a molecular weight of 270.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethylsulfonyl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 82179944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).