[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate

C19H22N2O6S — CID 8842159

IUPAC[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESCOc1ccccc1CCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O6S/c1-26-17-10-6-5-7-15(17)11-12-20-18(22)14-27-19(23)13-21-28(24,25)16-8-3-2-4-9-16/h2-10,21H,11-14H2,1H3,(H,20,22)
InChIKeyAKUNVLGLTHJDEA-UHFFFAOYSA-N
MW406.46 g/mol
LogP0.88
Rot. Bonds10

About [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate

[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate (PubChem CID 8842159) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate.

Molecular Properties

Compound Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
PubChem CID8842159
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate
SMILESCOc1ccccc1CCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N2O6S/c1-26-17-10-6-5-7-15(17)11-12-20-18(22)14-27-19(23)13-21-28(24,25)16-8-3-2-4-9-16/h2-10,21H,11-14H2,1H3,(H,20,22)
InChIKeyAKUNVLGLTHJDEA-UHFFFAOYSA-N
XLogP0.88
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9246179
[2-(3,3-diphenylpropylamino)-2-oxoethyl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 55317040
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2,3-dimethoxybenzoate
CID 9203453
2-amino-N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]acetamide
CID 103629773
[2-(2-methoxyanilino)-2-oxoethyl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234623
[2-oxo-2-(2-phenylethylamino)ethyl] 3-(benzenesulfonamido)propanoate
CID 7913064
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 3-(dimethylsulfamoyl)benzoate
CID 9017790
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-phenylbutanoate
CID 9229996
[2-(butylamino)-2-oxoethyl] 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 7954138
(2-anilino-2-oxoethyl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]acetate
CID 8664557

Frequently Asked Questions

What is the IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The IUPAC name of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate (CID 8842159) is [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate.
What is the SMILES notation for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The canonical SMILES for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate is COc1ccccc1CCNC(=O)COC(=O)CNS(=O)(=O)c1ccccc1.
What is the InChIKey of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate?
The InChIKey is AKUNVLGLTHJDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-26-17-10-6-5-7-15(17)11-12-20-18(22)14-27-19(23)13-21-28(24,25)16-8-3-2-4-9-16/h2-10,21H,11-14H2,1H3,(H,20,22).
What are the key properties of [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate?
[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate has a molecular weight of 406.46 g/mol, XLogP of 0.88, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(benzenesulfonamido)acetate is sourced from PubChem (CID 8842159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).