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

C22H20Cl2N2O4S — CID 30129821

IUPACN-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-31(28,29)26(14-16-2-4-17(23)5-3-16)20-10-12-21(13-11-20)30-15-22(27)25-19-8-6-18(24)7-9-19/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyUTSAQSGFSPVBAR-UHFFFAOYSA-N
MW479.39 g/mol
LogP4.98
Rot. Bonds8

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

N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30129821) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30129821
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC NameN-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-31(28,29)26(14-16-2-4-17(23)5-3-16)20-10-12-21(13-11-20)30-15-22(27)25-19-8-6-18(24)7-9-19/h2-13H,14-15H2,1H3,(H,25,27)
InChIKeyUTSAQSGFSPVBAR-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-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-fluorophenyl)acetamide
CID 30129813
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 30129863
N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129893
2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 30129351
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 30129784
N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247535
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2-methoxyethyl)acetamide
CID 30129724
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888548
N-(4-bromophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247509
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 30130019
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[4-[(4-methylphenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129669
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30129821) is N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is UTSAQSGFSPVBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-31(28,29)26(14-16-2-4-17(23)5-3-16)20-10-12-21(13-11-20)30-15-22(27)25-19-8-6-18(24)7-9-19/h2-13H,14-15H2,1H3,(H,25,27).
What are the key properties of N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-(4-chlorophenyl)-2-[4-[(4-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-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30129821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).