N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

C23H22Cl2N2O5S — CID 30129893

IUPACN-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C23H22Cl2N2O5S/c1-31-22-12-7-18(13-21(22)25)26-23(28)15-32-20-10-8-19(9-11-20)27(33(2,29)30)14-16-3-5-17(24)6-4-16/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyDSAZWMBOFNCMAR-UHFFFAOYSA-N
MW509.41 g/mol
LogP4.99
Rot. Bonds9

About N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30129893) has the molecular formula C23H22Cl2N2O5S and a molecular weight of 509.41 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30129893
Molecular FormulaC23H22Cl2N2O5S
Molecular Weight509.41 g/mol
Exact Mass508.06
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1Cl
InChIInChI=1S/C23H22Cl2N2O5S/c1-31-22-12-7-18(13-21(22)25)26-23(28)15-32-20-10-8-19(9-11-20)27(33(2,29)30)14-16-3-5-17(24)6-4-16/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyDSAZWMBOFNCMAR-UHFFFAOYSA-N
XLogP4.99
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.41
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[(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
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 99961252
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30129863
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 126396765
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888572
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 30129784
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30129724
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 30128970
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 N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30129893) is N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is COc1ccc(NC(=O)COc2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is DSAZWMBOFNCMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O5S/c1-31-22-12-7-18(13-21(22)25)26-23(28)15-32-20-10-8-19(9-11-20)27(33(2,29)30)14-16-3-5-17(24)6-4-16/h3-13H,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 509.41 g/mol, XLogP of 4.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30129893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).