2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide

C18H20N2O5S — CID 39871916

IUPAC2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-19-18(22)12-25-16-8-5-7-15(11-16)20-26(23,24)17-9-4-6-14(10-17)13(2)21/h4-11,20H,3,12H2,1-2H3,(H,19,22)
InChIKeySLCCWRNIZOFVSW-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.20
Rot. Bonds8

About 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide

2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide (PubChem CID 39871916) has the molecular formula C18H20N2O5S and a molecular weight of 376.43 g/mol. Its IUPAC name is 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide
PubChem CID39871916
Molecular FormulaC18H20N2O5S
Molecular Weight376.43 g/mol
Exact Mass376.11
IUPAC Name2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide
SMILESCCNC(=O)COc1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C18H20N2O5S/c1-3-19-18(22)12-25-16-8-5-7-15(11-16)20-26(23,24)17-9-4-6-14(10-17)13(2)21/h4-11,20H,3,12H2,1-2H3,(H,19,22)
InChIKeySLCCWRNIZOFVSW-UHFFFAOYSA-N
XLogP2.20
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-methylsulfonylbenzamide
CID 39044484
N-ethyl-2-[3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]phenoxy]acetamide
CID 39871766
[2-(ethylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706772
N-ethyl-2-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]phenoxy]acetamide
CID 55676569
N-ethyl-2-[4-(phenylsulfamoyl)phenoxy]acetamide
CID 2223893
2-(3-acetylphenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 4801122
2-[3-[(4,4-dimethylcyclohexyl)sulfonylamino]phenoxy]-N-ethylacetamide
CID 71912046
N-(3-acetylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126397930
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-iodobenzamide
CID 39043842
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 30859962
N-(3-acetylphenyl)-3-(trifluoromethoxy)benzenesulfonamide
CID 31688238
3-[(3-acetylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109065428

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide?
The IUPAC name of 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide (CID 39871916) is 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide?
The canonical SMILES for 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide is CCNC(=O)COc1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1.
What is the InChIKey of 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide?
The InChIKey is SLCCWRNIZOFVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5S/c1-3-19-18(22)12-25-16-8-5-7-15(11-16)20-26(23,24)17-9-4-6-14(10-17)13(2)21/h4-11,20H,3,12H2,1-2H3,(H,19,22).
What are the key properties of 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide?
2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide has a molecular weight of 376.43 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3-acetylphenyl)sulfonylamino]phenoxy]-N-ethylacetamide is sourced from PubChem (CID 39871916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).