N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

C23H22ClFN2O5S — CID 30130359

IUPACN-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H22ClFN2O5S/c1-31-22-12-5-17(24)13-21(22)26-23(28)15-32-20-10-8-19(9-11-20)27(33(2,29)30)14-16-3-6-18(25)7-4-16/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyKZRMZDYJMBMSOD-UHFFFAOYSA-N
MW492.96 g/mol
LogP4.47
Rot. Bonds9

About N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (PubChem CID 30130359) has the molecular formula C23H22ClFN2O5S and a molecular weight of 492.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
PubChem CID30130359
Molecular FormulaC23H22ClFN2O5S
Molecular Weight492.96 g/mol
Exact Mass492.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H22ClFN2O5S/c1-31-22-12-5-17(24)13-21(22)26-23(28)15-32-20-10-8-19(9-11-20)27(33(2,29)30)14-16-3-6-18(25)7-4-16/h3-13H,14-15H2,1-2H3,(H,26,28)
InChIKeyKZRMZDYJMBMSOD-UHFFFAOYSA-N
XLogP4.47
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.96
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-(2-benzoyl-4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888584
N-(3-chloro-4-methoxyphenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129893
2-[4-[benzyl(methylsulfonyl)amino]phenoxy]-N-(2,5-dichlorophenyl)acetamide
CID 30128942
N-[(2,4-dichlorophenyl)methyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130149
N-(2,6-difluorophenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130303
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]-N-(2,4-dimethylphenyl)acetamide
CID 30129784
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 43888572
2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]-N-propan-2-ylacetamide
CID 30130081

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide (CID 30130359) is N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is COc1ccc(Cl)cc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
The InChIKey is KZRMZDYJMBMSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClFN2O5S/c1-31-22-12-5-17(24)13-21(22)26-23(28)15-32-20-10-8-19(9-11-20)27(33(2,29)30)14-16-3-6-18(25)7-4-16/h3-13H,14-15H2,1-2H3,(H,26,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide has a molecular weight of 492.96 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide is sourced from PubChem (CID 30130359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).