2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide

C24H23ClN2O5S — CID 55947056

IUPAC2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1C
InChIInChI=1S/C24H23ClN2O5S/c1-3-33(30,31)27-22-13-10-20(14-16(22)2)26-23(28)15-32-21-11-6-18(7-12-21)24(29)17-4-8-19(25)9-5-17/h4-14,27H,3,15H2,1-2H3,(H,26,28)
InChIKeyYZLSKSBJNZHZBY-UHFFFAOYSA-N
MW486.98 g/mol
LogP4.66
Rot. Bonds9

About 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide

2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide (PubChem CID 55947056) has the molecular formula C24H23ClN2O5S and a molecular weight of 486.98 g/mol. Its IUPAC name is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
PubChem CID55947056
Molecular FormulaC24H23ClN2O5S
Molecular Weight486.98 g/mol
Exact Mass486.10
IUPAC Name2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
SMILESCCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1C
InChIInChI=1S/C24H23ClN2O5S/c1-3-33(30,31)27-22-13-10-20(14-16(22)2)26-23(28)15-32-21-11-6-18(7-12-21)24(29)17-4-8-19(25)9-5-17/h4-14,27H,3,15H2,1-2H3,(H,26,28)
InChIKeyYZLSKSBJNZHZBY-UHFFFAOYSA-N
XLogP4.66
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.98
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenoxy)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 47067384
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-naphthalen-2-yloxyacetamide
CID 47067394
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-(2-methoxyphenoxy)acetamide
CID 55947423
2-[4-(4-chlorobenzoyl)phenoxy]-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4884299
2-(2,5-dichlorophenyl)sulfanyl-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 60552730
5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
CID 55948329
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557
N-(4-chloro-2-methylphenyl)-2-[4-(4-methylphenyl)phenoxy]acetamide
CID 19174143
2-(cyclopropylmethylamino)-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide
CID 119739287
N-(4-chlorophenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3918848
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3-methylphenyl)acetamide
CID 4578573

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The IUPAC name of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide (CID 55947056) is 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide.
What is the SMILES notation for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The canonical SMILES for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide is CCS(=O)(=O)Nc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1C.
What is the InChIKey of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
The InChIKey is YZLSKSBJNZHZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5S/c1-3-33(30,31)27-22-13-10-20(14-16(22)2)26-23(28)15-32-21-11-6-18(7-12-21)24(29)17-4-8-19(25)9-5-17/h4-14,27H,3,15H2,1-2H3,(H,26,28).
What are the key properties of 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide?
2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide has a molecular weight of 486.98 g/mol, XLogP of 4.66, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorobenzoyl)phenoxy]-N-[4-(ethylsulfonylamino)-3-methylphenyl]acetamide is sourced from PubChem (CID 55947056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).