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

C22H20Cl2N2O4S — CID 30130762

IUPACN-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-31(28,29)26(14-16-6-2-3-7-19(16)23)17-10-12-18(13-11-17)30-15-22(27)25-21-9-5-4-8-20(21)24/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyCXXQYJNFSONUPZ-UHFFFAOYSA-N
MW479.39 g/mol
LogP4.98
Rot. Bonds8

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

N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30130762) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30130762
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC NameN-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-31(28,29)26(14-16-6-2-3-7-19(16)23)17-10-12-18(13-11-17)30-15-22(27)25-21-9-5-4-8-20(21)24/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyCXXQYJNFSONUPZ-UHFFFAOYSA-N
XLogP4.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.39
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,6-diethylphenyl)acetamide
CID 30130962
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130619
N-(3-acetylphenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130872
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30130659
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30130967
ethyl 4-[[2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetyl]amino]benzoate
CID 30130866
2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-cycloheptylacetamide
CID 30130647
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
N,N-dibenzyl-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888618
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 30129121
N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128451
N-(3,4-difluorophenyl)-2-[4-[(2-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30131515

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30130762) is N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is CXXQYJNFSONUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-31(28,29)26(14-16-6-2-3-7-19(16)23)17-10-12-18(13-11-17)30-15-22(27)25-21-9-5-4-8-20(21)24/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 479.39 g/mol, XLogP of 4.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[(2-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30130762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).