2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C23H24N2O5S — CID 24632921

IUPAC2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-17-2-6-20(7-3-17)30-21-10-8-19(9-11-21)29-16-23(26)25-15-14-18-4-12-22(13-5-18)31(24,27)28/h2-13H,14-16H2,1H3,(H,25,26)(H2,24,27,28)
InChIKeyHMWYJGYRXKPTND-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.17
Rot. Bonds9

About 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 24632921) has the molecular formula C23H24N2O5S and a molecular weight of 440.52 g/mol. Its IUPAC name is 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID24632921
Molecular FormulaC23H24N2O5S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCc1ccc(Oc2ccc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1
InChIInChI=1S/C23H24N2O5S/c1-17-2-6-20(7-3-17)30-21-10-8-19(9-11-21)29-16-23(26)25-15-14-18-4-12-22(13-5-18)31(24,27)28/h2-13H,14-16H2,1H3,(H,25,26)(H2,24,27,28)
InChIKeyHMWYJGYRXKPTND-UHFFFAOYSA-N
XLogP3.17
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylphenoxy)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 40613651
N-[2-[4-(ethylsulfamoyl)phenyl]ethyl]-2-(4-methylphenoxy)acetamide
CID 112507216
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N'-[(4-methylphenyl)methyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanediamide
CID 108945727
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[4-(4-methylphenoxy)phenyl]-3-(4-sulfamoylphenyl)propanamide
CID 24575363
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 3-(4-methylphenyl)sulfonylpropanoate
CID 40778059
3-(4-methylanilino)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 109027623
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4910874
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 55846808
2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 24537163
2-[4-(3,5-dimethylphenoxy)phenoxy]-N-(4-sulfamoylphenyl)acetamide
CID 18870470

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 24632921) is 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is Cc1ccc(Oc2ccc(OCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)cc2)cc1.
What is the InChIKey of 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is HMWYJGYRXKPTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S/c1-17-2-6-20(7-3-17)30-21-10-8-19(9-11-21)29-16-23(26)25-15-14-18-4-12-22(13-5-18)31(24,27)28/h2-13H,14-16H2,1H3,(H,25,26)(H2,24,27,28).
What are the key properties of 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 440.52 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenoxy)phenoxy]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 24632921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).