[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate

C20H22N2O6S — CID 2166088

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O6S/c1-2-15-8-10-16(11-9-15)18(23)14-28-20(25)13-21-19(24)12-22-29(26,27)17-6-4-3-5-7-17/h3-11,22H,2,12-14H2,1H3,(H,21,24)
InChIKeyFAMOETOCPDXYGC-UHFFFAOYSA-N
MW418.47 g/mol
LogP1.07
Rot. Bonds10

About [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate

[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate (PubChem CID 2166088) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate
PubChem CID2166088
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)CNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C20H22N2O6S/c1-2-15-8-10-16(11-9-15)18(23)14-28-20(25)13-21-19(24)12-22-29(26,27)17-6-4-3-5-7-17/h3-11,22H,2,12-14H2,1H3,(H,21,24)
InChIKeyFAMOETOCPDXYGC-UHFFFAOYSA-N
XLogP1.07
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 1613147
2-(2,5-Dimethylphenyl)-2-oxoethyl [(phenylsulfonyl)amino]acetate
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(1-Oxo-1-phenylpropan-2-yl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 3442790
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[1-(4-Ethylphenyl)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 5038753
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (2S)-2-benzamido-3-methylbutanoate
CID 24980184
2-(4-ethylphenyl)-2-oxoethyl N-(phenylacetyl)glycinate
CID 2065705
[2-(4-Methylphenyl)-2-oxoethyl] 3-[(2-fluorophenyl)sulfonylamino]propanoate
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[2-Oxo-2-(4-phenylphenyl)ethyl] 2-acetamidopropanoate
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2-(4-methylphenyl)-2-oxoethyl N-(phenylacetyl)glycinate
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[2-Oxo-2-(3-phenylpropylamino)ethyl] 3-(methylsulfamoyl)benzoate
CID 2100289

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate (CID 2166088) is [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate is CCc1ccc(C(=O)COC(=O)CNC(=O)CNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate?
The InChIKey is FAMOETOCPDXYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-2-15-8-10-16(11-9-15)18(23)14-28-20(25)13-21-19(24)12-22-29(26,27)17-6-4-3-5-7-17/h3-11,22H,2,12-14H2,1H3,(H,21,24).
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate?
[2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate has a molecular weight of 418.47 g/mol, XLogP of 1.07, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 2-[[2-(benzenesulfonamido)acetyl]amino]acetate is sourced from PubChem (CID 2166088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).