2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide

C22H22N2O5S — CID 18870470

IUPAC2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(C)cc(Oc2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c1
InChIInChI=1S/C22H22N2O5S/c1-15-11-16(2)13-20(12-15)29-19-7-5-18(6-8-19)28-14-22(25)24-17-3-9-21(10-4-17)30(23,26)27/h3-13H,14H2,1-2H3,(H,24,25)(H2,23,26,27)
InChIKeyYYAWCSOWABGCJX-UHFFFAOYSA-N
MW426.49 g/mol
LogP3.76
Rot. Bonds7

About 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide

2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 18870470) has the molecular formula C22H22N2O5S and a molecular weight of 426.49 g/mol. Its IUPAC name is 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
PubChem CID18870470
Molecular FormulaC22H22N2O5S
Molecular Weight426.49 g/mol
Exact Mass426.12
IUPAC Name2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1cc(C)cc(Oc2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c1
InChIInChI=1S/C22H22N2O5S/c1-15-11-16(2)13-20(12-15)29-19-7-5-18(6-8-19)28-14-22(25)24-17-3-9-21(10-4-17)30(23,26)27/h3-13H,14H2,1-2H3,(H,24,25)(H2,23,26,27)
InChIKeyYYAWCSOWABGCJX-UHFFFAOYSA-N
XLogP3.76
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 18870478
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 18870428
2-(3-methylphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 675979
2-[4-[(4-methylphenyl)sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 3887090
ethyl 4-[2-oxo-2-(4-sulfamoylanilino)ethoxy]benzoate
CID 38924617
N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870439
methyl 2-[4-[[2-(3,5-dimethylphenoxy)acetyl]amino]phenoxy]acetate
CID 2975656
2-(3-methoxyphenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 19204089
2-[4-[[(2R)-butan-2-yl]sulfamoyl]phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 126212081
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-(3,4-dimethylphenoxy)acetate
CID 2595829
2-[3-(3-chloro-5-methylphenoxy)-5-methylphenoxy]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 143402513
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide (CID 18870470) is 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide is Cc1cc(C)cc(Oc2ccc(OCC(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)c1.
What is the InChIKey of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is YYAWCSOWABGCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5S/c1-15-11-16(2)13-20(12-15)29-19-7-5-18(6-8-19)28-14-22(25)24-17-3-9-21(10-4-17)30(23,26)27/h3-13H,14H2,1-2H3,(H,24,25)(H2,23,26,27).
What are the key properties of 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide?
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 426.49 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 18870470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).