N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

C29H23Cl2NO4S — CID 71285899

IUPACN-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)c3ccccc3)cc(-c3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C29H23Cl2NO4S/c1-2-37(35,36)25-11-8-19(9-12-25)14-28(33)32-24-16-21(26-13-10-23(30)18-27(26)31)15-22(17-24)29(34)20-6-4-3-5-7-20/h3-13,15-18H,2,14H2,1H3,(H,32,33)
InChIKeySSQBEKVWNCLIDZ-UHFFFAOYSA-N
MW552.48 g/mol
LogP6.87
Rot. Bonds8

About N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide

N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71285899) has the molecular formula C29H23Cl2NO4S and a molecular weight of 552.48 g/mol. Its IUPAC name is N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71285899
Molecular FormulaC29H23Cl2NO4S
Molecular Weight552.48 g/mol
Exact Mass551.07
IUPAC NameN-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)c3ccccc3)cc(-c3ccc(Cl)cc3Cl)c2)cc1
InChIInChI=1S/C29H23Cl2NO4S/c1-2-37(35,36)25-11-8-19(9-12-25)14-28(33)32-24-16-21(26-13-10-23(30)18-27(26)31)15-22(17-24)29(34)20-6-4-3-5-7-20/h3-13,15-18H,2,14H2,1H3,(H,32,33)
InChIKeySSQBEKVWNCLIDZ-UHFFFAOYSA-N
XLogP6.87
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.48
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-benzoyl-3-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285888
N-[4-(3-chlorophenyl)-3-phenoxyphenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72545950
N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285923
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-ethylsulfonylphenyl)acetamide
CID 18587054
N-[4-(2,5-dichlorophenyl)-3-(trifluoromethyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71284005
N-[4-(3-chlorophenyl)-3-(2-fluorophenoxy)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 72544310
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-[4-(2-butoxyphenyl)-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289987
N-(4-chloro-3-pyridin-4-ylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285892
N-[5-(4-chlorophenyl)-6-phenoxy-2-pyridinyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 78320018
N-(3,5-dichloro-4-phenylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 123708136
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730

Frequently Asked Questions

What is the IUPAC name of N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 71285899) is N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cc(C(=O)c3ccccc3)cc(-c3ccc(Cl)cc3Cl)c2)cc1.
What is the InChIKey of N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is SSQBEKVWNCLIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2NO4S/c1-2-37(35,36)25-11-8-19(9-12-25)14-28(33)32-24-16-21(26-13-10-23(30)18-27(26)31)15-22(17-24)29(34)20-6-4-3-5-7-20/h3-13,15-18H,2,14H2,1H3,(H,32,33).
What are the key properties of N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 552.48 g/mol, XLogP of 6.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71285899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).