2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C18H22N2O6S — CID 7713817

IUPAC2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C18H22N2O6S/c1-20(2)27(22,23)17-7-5-6-13(8-17)19-18(21)12-26-16-10-14(24-3)9-15(11-16)25-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyOTIWRZYVOCKJBE-UHFFFAOYSA-N
MW394.45 g/mol
LogP1.97
Rot. Bonds8

About 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 7713817) has the molecular formula C18H22N2O6S and a molecular weight of 394.45 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID7713817
Molecular FormulaC18H22N2O6S
Molecular Weight394.45 g/mol
Exact Mass394.12
IUPAC Name2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCOc1cc(OC)cc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1
InChIInChI=1S/C18H22N2O6S/c1-20(2)27(22,23)17-7-5-6-13(8-17)19-18(21)12-26-16-10-14(24-3)9-15(11-16)25-4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyOTIWRZYVOCKJBE-UHFFFAOYSA-N
XLogP1.97
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
CID 35986913
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7847691
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-propoxyphenoxy)acetamide
CID 8961619
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 7705824
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
N-(3-cyanophenyl)-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713816
N-[3-(dimethylsulfamoyl)phenyl]-2-(1-oxidopyridin-1-ium-2-yl)oxyacetamide
CID 9354824
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 7713817) is 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is COc1cc(OC)cc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1.
What is the InChIKey of 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is OTIWRZYVOCKJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6S/c1-20(2)27(22,23)17-7-5-6-13(8-17)19-18(21)12-26-16-10-14(24-3)9-15(11-16)25-4/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 394.45 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 7713817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).