N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

C23H23ClN2O6S — CID 100586436

IUPACN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H23ClN2O6S/c1-26(33(3,28)29)17-5-7-19(8-6-17)31-15-23(27)25-21-14-16(24)4-13-22(21)32-20-11-9-18(30-2)10-12-20/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyNYCKYXJQZDHIEI-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.55
Rot. Bonds9

About N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide

N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (PubChem CID 100586436) has the molecular formula C23H23ClN2O6S and a molecular weight of 490.97 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
PubChem CID100586436
Molecular FormulaC23H23ClN2O6S
Molecular Weight490.97 g/mol
Exact Mass490.10
IUPAC NameN-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
SMILESCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C23H23ClN2O6S/c1-26(33(3,28)29)17-5-7-19(8-6-17)31-15-23(27)25-21-14-16(24)4-13-22(21)32-20-11-9-18(30-2)10-12-20/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyNYCKYXJQZDHIEI-UHFFFAOYSA-N
XLogP4.55
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-chloro-2-phenoxyphenyl)-2-[4-[methyl(methylsulfonyl)amino]phenyl]acetamide
CID 100787270
N-(5-chloro-2-methoxyphenyl)-2-[4-[(4-fluorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30130359
N-(2,3-dichlorophenyl)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128451
N-(5-chloro-2-phenoxyphenyl)-2-[4-[ethyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247356
2-[4-(tert-butylsulfamoyl)phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 126202386
N-(5-chloro-2-methoxyphenyl)-2-(4-cyanophenoxy)acetamide
CID 7503472
2-[4-(benzylsulfamoyl)phenoxy]-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126235503
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872
2-[4-[benzyl(methyl)sulfamoyl]phenoxy]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4531228
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide
CID 30128712
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-3-ethoxypropanamide
CID 56501217

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The IUPAC name of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide (CID 100586436) is N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is COc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
The InChIKey is NYCKYXJQZDHIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6S/c1-26(33(3,28)29)17-5-7-19(8-6-17)31-15-23(27)25-21-14-16(24)4-13-22(21)32-20-11-9-18(30-2)10-12-20/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide?
N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide has a molecular weight of 490.97 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methoxyphenoxy)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]acetamide is sourced from PubChem (CID 100586436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).