2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide

C27H23ClN2O5S — CID 126235503

IUPAC2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C27H23ClN2O5S/c28-21-11-16-26(35-23-9-5-2-6-10-23)25(17-21)30-27(31)19-34-22-12-14-24(15-13-22)36(32,33)29-18-20-7-3-1-4-8-20/h1-17,29H,18-19H2,(H,30,31)
InChIKeyMYUSTBYLGKRXLT-UHFFFAOYSA-N
MW523.01 g/mol
LogP5.63
Rot. Bonds10

About 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide

2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide (PubChem CID 126235503) has the molecular formula C27H23ClN2O5S and a molecular weight of 523.01 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
PubChem CID126235503
Molecular FormulaC27H23ClN2O5S
Molecular Weight523.01 g/mol
Exact Mass522.10
IUPAC Name2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1
InChIInChI=1S/C27H23ClN2O5S/c28-21-11-16-26(35-23-9-5-2-6-10-23)25(17-21)30-27(31)19-34-22-12-14-24(15-13-22)36(32,33)29-18-20-7-3-1-4-8-20/h1-17,29H,18-19H2,(H,30,31)
InChIKeyMYUSTBYLGKRXLT-UHFFFAOYSA-N
XLogP5.63
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.01
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(benzylsulfamoyl)-2-chlorophenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126260217
N-(5-chloro-2-phenoxyphenyl)-2-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenoxy]acetamide
CID 126251916
N-(5-chloro-2-phenoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126383436
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
CID 126204320
2-[4-(benzylsulfamoyl)phenoxy]-N-(2-fluorophenyl)acetamide
CID 126207961
2-[4-(benzylsulfamoyl)-2-methylphenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 126397596
methyl 2-[4-[(5-chloro-2-phenoxyphenyl)sulfamoyl]phenoxy]acetate
CID 126252916
N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247356
N-[4-chloro-2-[(2-phenoxyacetyl)amino]phenyl]-2-phenoxyacetamide
CID 1247989
2-[4-(benzylsulfamoyl)phenoxy]-N-methylacetamide
CID 126198035
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4531228
2-[4-(tert-butylsulfamoyl)phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126202386

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide (CID 126235503) is 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1cc(Cl)ccc1Oc1ccccc1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide?
The InChIKey is MYUSTBYLGKRXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN2O5S/c28-21-11-16-26(35-23-9-5-2-6-10-23)25(17-21)30-27(31)19-34-22-12-14-24(15-13-22)36(32,33)29-18-20-7-3-1-4-8-20/h1-17,29H,18-19H2,(H,30,31).
What are the key properties of 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide?
2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide has a molecular weight of 523.01 g/mol, XLogP of 5.63, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide is sourced from PubChem (CID 126235503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).