N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide

C23H20N2O6S — CID 2471942

IUPACN-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O6S/c1-16(26)25-32(29,30)21-13-9-19(10-14-21)24-22(27)15-31-20-11-7-18(8-12-20)23(28)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyAPNORAHSYLCDPW-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.76
Rot. Bonds8

About N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide

N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide (PubChem CID 2471942) has the molecular formula C23H20N2O6S and a molecular weight of 452.49 g/mol. Its IUPAC name is N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide
PubChem CID2471942
Molecular FormulaC23H20N2O6S
Molecular Weight452.49 g/mol
Exact Mass452.10
IUPAC NameN-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O6S/c1-16(26)25-32(29,30)21-13-9-19(10-14-21)24-22(27)15-31-20-11-7-18(8-12-20)23(28)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyAPNORAHSYLCDPW-UHFFFAOYSA-N
XLogP2.76
TPSA118.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide?
The IUPAC name of N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide (CID 2471942) is N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide.
What is the SMILES notation for N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide?
The canonical SMILES for N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide is CC(=O)NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide?
The InChIKey is APNORAHSYLCDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O6S/c1-16(26)25-32(29,30)21-13-9-19(10-14-21)24-22(27)15-31-20-11-7-18(8-12-20)23(28)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide?
N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide has a molecular weight of 452.49 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(acetylsulfamoyl)phenyl]-2-(4-benzoylphenoxy)acetamide is sourced from PubChem (CID 2471942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).