2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide

C24H25ClN2O4S — CID 30129784

IUPAC2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C24H25ClN2O4S/c1-17-4-13-23(18(2)14-17)26-24(28)16-31-22-11-9-21(10-12-22)27(32(3,29)30)15-19-5-7-20(25)8-6-19/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyIGQOSXVYBWDIMY-UHFFFAOYSA-N
MW472.99 g/mol
LogP4.94
Rot. Bonds8

About 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide

2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 30129784) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide
PubChem CID30129784
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC Name2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1
InChIInChI=1S/C24H25ClN2O4S/c1-17-4-13-23(18(2)14-17)26-24(28)16-31-22-11-9-21(10-12-22)27(32(3,29)30)15-19-5-7-20(25)8-6-19/h4-14H,15-16H2,1-3H3,(H,26,28)
InChIKeyIGQOSXVYBWDIMY-UHFFFAOYSA-N
XLogP4.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.99
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888548
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
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-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129893
N-(2-benzoyl-4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888584
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30129863
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 30129351
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide
CID 17247518
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30129724
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129669

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide (CID 30129784) is 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c(C)c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is IGQOSXVYBWDIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-17-4-13-23(18(2)14-17)26-24(28)16-31-22-11-9-21(10-12-22)27(32(3,29)30)15-19-5-7-20(25)8-6-19/h4-14H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide?
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 472.99 g/mol, XLogP of 4.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 30129784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).