N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

C23H21Cl2FN2O4S — CID 30130149

IUPACN-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H21Cl2FN2O4S/c1-33(30,31)28(14-16-2-6-19(26)7-3-16)20-8-10-21(11-9-20)32-15-23(29)27-13-17-4-5-18(24)12-22(17)25/h2-12H,13-15H2,1H3,(H,27,29)
InChIKeyCMYASQAAWBZAIZ-UHFFFAOYSA-N
MW511.40 g/mol
LogP4.79
Rot. Bonds9

About N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30130149) has the molecular formula C23H21Cl2FN2O4S and a molecular weight of 511.40 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30130149
Molecular FormulaC23H21Cl2FN2O4S
Molecular Weight511.40 g/mol
Exact Mass510.06
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C23H21Cl2FN2O4S/c1-33(30,31)28(14-16-2-6-19(26)7-3-16)20-8-10-21(11-9-20)32-15-23(29)27-13-17-4-5-18(24)12-22(17)25/h2-12H,13-15H2,1H3,(H,27,29)
InChIKeyCMYASQAAWBZAIZ-UHFFFAOYSA-N
XLogP4.79
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-fluorophenyl)acetamide
CID 30129813
N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130359
N-(2-benzoyl-4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888584
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130081
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(furan-2-ylmethyl)acetamide
CID 30129755
N-(2,6-difluorophenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130303
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30129724
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888572
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
N-[(2,4-dichlorophenyl)methyl]-2-(N-methylsulfonyl-4-propan-2-yloxyanilino)acetamide
CID 30263695
N-benzyl-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131110

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30130149) is N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is CMYASQAAWBZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2FN2O4S/c1-33(30,31)28(14-16-2-6-19(26)7-3-16)20-8-10-21(11-9-20)32-15-23(29)27-13-17-4-5-18(24)12-22(17)25/h2-12H,13-15H2,1H3,(H,27,29).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 511.40 g/mol, XLogP of 4.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30130149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).