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

C22H19Cl2NO3S — CID 71285829

IUPACN-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3cc(Cl)ccc3Cl)c2)cc1
InChIInChI=1S/C22H19Cl2NO3S/c1-2-29(27,28)19-9-6-15(7-10-19)12-22(26)25-18-5-3-4-16(13-18)20-14-17(23)8-11-21(20)24/h3-11,13-14H,2,12H2,1H3,(H,25,26)
InChIKeyQZGZCCCTRFIGEZ-UHFFFAOYSA-N
MW448.37 g/mol
LogP5.64
Rot. Bonds6

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

N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (PubChem CID 71285829) has the molecular formula C22H19Cl2NO3S and a molecular weight of 448.37 g/mol. Its IUPAC name is N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
PubChem CID71285829
Molecular FormulaC22H19Cl2NO3S
Molecular Weight448.37 g/mol
Exact Mass447.05
IUPAC NameN-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
SMILESCCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3cc(Cl)ccc3Cl)c2)cc1
InChIInChI=1S/C22H19Cl2NO3S/c1-2-29(27,28)19-9-6-15(7-10-19)12-22(26)25-18-5-3-4-16(13-18)20-14-17(23)8-11-21(20)24/h3-11,13-14H,2,12H2,1H3,(H,25,26)
InChIKeyQZGZCCCTRFIGEZ-UHFFFAOYSA-N
XLogP5.64
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.37
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylsulfonylphenyl)-N-(4-phenyl-3-propan-2-ylphenyl)acetamide
CID 118707356
N-[4-(3-Chlorophenyl)-2-thienyl]-4-(ethylsulfonyl)benzeneacetamide
CID 68276072
N-[4-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71283712
N-[3-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71283813
N-[3-chloro-4-(2-chlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285798
N-[3,5-dichloro-4-(2-cyanophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285802
N-(3-chloro-4-phenylphenyl)-2-(4-ethylsulfonylphenyl)acetamide
CID 71285820
N-[3,5-dichloro-4-(2-cyano-4-fluorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71285944
N-[3-chloro-4-[2-[(dimethylamino)methyl]phenyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 71289906
N-[4-[[benzyl(propyl)amino]methyl]-3,5-dichlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738514
N-[4-[[benzyl(propyl)amino]methyl]-3-chlorophenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738516
N-[4-[[(2-chlorophenyl)methyl-propylamino]methyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141738542

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The IUPAC name of N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide (CID 71285829) is N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The canonical SMILES for N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is CCS(=O)(=O)c1ccc(CC(=O)Nc2cccc(-c3cc(Cl)ccc3Cl)c2)cc1.
What is the InChIKey of N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
The InChIKey is QZGZCCCTRFIGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2NO3S/c1-2-29(27,28)19-9-6-15(7-10-19)12-22(26)25-18-5-3-4-16(13-18)20-14-17(23)8-11-21(20)24/h3-11,13-14H,2,12H2,1H3,(H,25,26).
What are the key properties of N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide?
N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide has a molecular weight of 448.37 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-dichlorophenyl)phenyl]-2-(4-ethylsulfonylphenyl)acetamide is sourced from PubChem (CID 71285829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).