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2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

C23H21ClN2O5S — CID 4884299

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H21ClN2O5S/c1-26(2)32(29,30)21-5-3-4-19(14-21)25-22(27)15-31-20-12-8-17(9-13-20)23(28)16-6-10-18(24)11-7-16/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyXQPBKRXVWMNTRI-UHFFFAOYSA-N
MW472.95 g/mol
LogP3.84
Rot. Bonds8

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 4884299) has the molecular formula C23H21ClN2O5S and a molecular weight of 472.95 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID4884299
Molecular FormulaC23H21ClN2O5S
Molecular Weight472.95 g/mol
Exact Mass472.09
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C23H21ClN2O5S/c1-26(2)32(29,30)21-5-3-4-19(14-21)25-22(27)15-31-20-12-8-17(9-13-20)23(28)16-6-10-18(24)11-7-16/h3-14H,15H2,1-2H3,(H,25,27)
InChIKeyXQPBKRXVWMNTRI-UHFFFAOYSA-N
XLogP3.84
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.95
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide (CID 4884299) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is XQPBKRXVWMNTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5S/c1-26(2)32(29,30)21-5-3-4-19(14-21)25-22(27)15-31-20-12-8-17(9-13-20)23(28)16-6-10-18(24)11-7-16/h3-14H,15H2,1-2H3,(H,25,27).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 472.95 g/mol, XLogP of 3.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4884299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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