N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide

C23H20BrNO4S — CID 71285923

IUPACN-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)c(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H20BrNO4S/c1-2-30(28,29)19-11-8-16(9-12-19)14-22(26)25-18-10-13-21(24)20(15-18)23(27)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,25,26)
InChIKeyUHNSSWWJVXOOGY-UHFFFAOYSA-N
MW486.39 g/mol
LogP4.65
Rot. Bonds7

About N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide

N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71285923) has the molecular formula C23H20BrNO4S and a molecular weight of 486.39 g/mol. Its IUPAC name is N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71285923
Molecular FormulaC23H20BrNO4S
Molecular Weight486.39 g/mol
Exact Mass485.03
IUPAC NameN-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)c(C(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C23H20BrNO4S/c1-2-30(28,29)19-11-8-16(9-12-19)14-22(26)25-18-10-13-21(24)20(15-18)23(27)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,25,26)
InChIKeyUHNSSWWJVXOOGY-UHFFFAOYSA-N
XLogP4.65
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.39
LogP ≤ 54.65
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-[3-benzoyl-5-(2,4-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285899
2-(4-ethylsulfonylphenyl)-N-[3-(6-methylcyclohexa-2,4-diene-1-carbonyl)-4-phenylphenyl]acetamide
CID 144540045
N-(4-bromo-3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71283763
N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71284029
2-(4-ethylsulfonylphenyl)-N-(4-nitrophenyl)acetamide
CID 18587060
N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]benzamide
CID 10297535
N-[2-benzoyl-4-[[2-(3-methylphenyl)acetyl]amino]phenyl]-2-(4-methylphenyl)acetamide
CID 11236897
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-(3-benzoyl-4-bromophenyl)-2,6-dimethoxybenzamide
CID 3350285
N-[2-benzoyl-4-[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-(4-methylphenyl)acetamide
CID 11214428
N-[4-(1-benzyl-6-methylbenzimidazol-2-yl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 162433837

Frequently Asked Questions

What is the IUPAC name of N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide (CID 71285923) is N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2ccc(Br)c(C(=O)c3ccccc3)c2)cc1.
What is the InChIKey of N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is UHNSSWWJVXOOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrNO4S/c1-2-30(28,29)19-11-8-16(9-12-19)14-22(26)25-18-10-13-21(24)20(15-18)23(27)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,25,26).
What are the key properties of N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide?
N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 486.39 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzoyl-4-bromophenyl)-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71285923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).