2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C18H22N2O4S — CID 4798692

IUPAC2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O4S/c1-13-8-9-16(10-14(13)2)24-12-18(21)19-15-6-5-7-17(11-15)25(22,23)20(3)4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyLYBYKIXCUABCCI-UHFFFAOYSA-N
MW362.45 g/mol
LogP2.57
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4798692) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4798692
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC Name2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1C
InChIInChI=1S/C18H22N2O4S/c1-13-8-9-16(10-14(13)2)24-12-18(21)19-15-6-5-7-17(11-15)25(22,23)20(3)4/h5-11H,12H2,1-4H3,(H,19,21)
InChIKeyLYBYKIXCUABCCI-UHFFFAOYSA-N
XLogP2.57
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
CID 35986913
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
N-[3-(dimethylsulfamoyl)phenyl]-2-(6,7,8,9-tetrahydrodibenzofuran-2-yloxy)acetamide
CID 17390804
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,3,5-trimethylphenoxy)acetamide
CID 7705824
N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55390665
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 4175549
2-(2-bromophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7847691
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 2-(3-ethylphenoxy)acetate
CID 8634998

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 4798692) is 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is Cc1ccc(OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is LYBYKIXCUABCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-13-8-9-16(10-14(13)2)24-12-18(21)19-15-6-5-7-17(11-15)25(22,23)20(3)4/h5-11H,12H2,1-4H3,(H,19,21).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 362.45 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4798692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).