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

C23H21ClN2O5S — CID 4884299

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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Related Compounds

2-(3,5-dichlorophenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7848506
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692
2-(4-chlorophenoxy)-N-(3-methylsulfonylphenyl)acetamide
CID 9137559
2-(4-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2710578
2-(3,5-dimethoxyphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 7713817
N-[3-(dimethylsulfamoyl)phenyl]-2-(3-iodophenoxy)acetamide
CID 35986913
N-(3-chlorophenyl)-2-[4-[(4-chlorophenyl)sulfonyl-methylamino]phenoxy]acetamide
CID 2332931
N-[3-(dimethylsulfamoyl)phenyl]-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 55390665
[2-[3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate
CID 5004260
2-(3-chlorophenoxy)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 2632951
N-[3-(dimethylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4797644
2-(4-chlorophenoxy)-N-[3-[2-(dimethylamino)acetyl]phenyl]acetamide
CID 170896491

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).