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

C27H24N2O5S — CID 126204320

IUPAC2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H24N2O5S/c30-27(29-22-11-13-25(14-12-22)34-24-9-5-2-6-10-24)20-33-23-15-17-26(18-16-23)35(31,32)28-19-21-7-3-1-4-8-21/h1-18,28H,19-20H2,(H,29,30)
InChIKeyWWKVAMDAXNZTAH-UHFFFAOYSA-N
MW488.57 g/mol
LogP4.97
Rot. Bonds10

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

2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide (PubChem CID 126204320) has the molecular formula C27H24N2O5S and a molecular weight of 488.57 g/mol. Its IUPAC name is 2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
PubChem CID126204320
Molecular FormulaC27H24N2O5S
Molecular Weight488.57 g/mol
Exact Mass488.14
IUPAC Name2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C27H24N2O5S/c30-27(29-22-11-13-25(14-12-22)34-24-9-5-2-6-10-24)20-33-23-15-17-26(18-16-23)35(31,32)28-19-21-7-3-1-4-8-21/h1-18,28H,19-20H2,(H,29,30)
InChIKeyWWKVAMDAXNZTAH-UHFFFAOYSA-N
XLogP4.97
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide (CID 126204320) is 2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide is O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is WWKVAMDAXNZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5S/c30-27(29-22-11-13-25(14-12-22)34-24-9-5-2-6-10-24)20-33-23-15-17-26(18-16-23)35(31,32)28-19-21-7-3-1-4-8-21/h1-18,28H,19-20H2,(H,29,30).
What are the key properties of 2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide?
2-[4-(benzylsulfamoyl)phenoxy]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 488.57 g/mol, XLogP of 4.97, 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-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 126204320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).