2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide

C11H18N2O3S — CID 28793949

IUPAC2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)CCN
InChIInChI=1S/C11H18N2O3S/c1-3-16-11-7-5-4-6-10(11)13(2)17(14,15)9-8-12/h4-7H,3,8-9,12H2,1-2H3
InChIKeyWHDUUMCUIUNTBG-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.81
Rot. Bonds6

About 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide

2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide (PubChem CID 28793949) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide
PubChem CID28793949
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide
SMILESCCOc1ccccc1N(C)S(=O)(=O)CCN
InChIInChI=1S/C11H18N2O3S/c1-3-16-11-7-5-4-6-10(11)13(2)17(14,15)9-8-12/h4-7H,3,8-9,12H2,1-2H3
InChIKeyWHDUUMCUIUNTBG-UHFFFAOYSA-N
XLogP0.81
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-N-methyl-2-nitrobenzenesulfonamide
CID 99717909
2-(2-ethoxy-N-methylsulfonylanilino)-N,N-dimethylacetamide
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N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 61355366
N-(2-ethoxyphenyl)-N-ethyl-4-methylbenzenesulfonamide
CID 35767256
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylethanesulfonamide
CID 107651171
3-[2-(dimethylamino)ethenyl]-N-(2-ethoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 71830210
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]ethanesulfonamide
CID 113070587
4-N-(2-ethoxyphenyl)-4-N-methylcyclohexane-1,4-diamine
CID 117029195
N-[2-(aminomethyl)phenyl]-N-methyl-2-phenylethanesulfonamide
CID 80690978
N-[2-(2-ethoxy-N-methylsulfonylanilino)ethyl]-2-ethylbutanamide
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2-ethoxy-N-ethyl-N-phenylaniline
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(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide?
The IUPAC name of 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide (CID 28793949) is 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide.
What is the SMILES notation for 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide?
The canonical SMILES for 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide is CCOc1ccccc1N(C)S(=O)(=O)CCN.
What is the InChIKey of 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide?
The InChIKey is WHDUUMCUIUNTBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-16-11-7-5-4-6-10(11)13(2)17(14,15)9-8-12/h4-7H,3,8-9,12H2,1-2H3.
What are the key properties of 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide?
2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-ethoxyphenyl)-N-methylethanesulfonamide is sourced from PubChem (CID 28793949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).