N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide

C28H24Cl2N2O5S — CID 43894011

IUPACN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H24Cl2N2O5S/c1-19-10-13-23(14-11-19)38(34,35)32(22-7-5-6-20(29)16-22)18-28(33)31-24-17-21(30)12-15-25(24)37-27-9-4-3-8-26(27)36-2/h3-17H,18H2,1-2H3,(H,31,33)
InChIKeyAYBZSJOULQFBGI-UHFFFAOYSA-N
MW571.48 g/mol
LogP6.94
Rot. Bonds9

About N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 43894011) has the molecular formula C28H24Cl2N2O5S and a molecular weight of 571.48 g/mol. Its IUPAC name is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID43894011
Molecular FormulaC28H24Cl2N2O5S
Molecular Weight571.48 g/mol
Exact Mass570.08
IUPAC NameN-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C28H24Cl2N2O5S/c1-19-10-13-23(14-11-19)38(34,35)32(22-7-5-6-20(29)16-22)18-28(33)31-24-17-21(30)12-15-25(24)37-27-9-4-3-8-26(27)36-2/h3-17H,18H2,1-2H3,(H,31,33)
InChIKeyAYBZSJOULQFBGI-UHFFFAOYSA-N
XLogP6.94
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.48
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893859
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894679
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(5-chloro-2-phenoxyphenyl)acetamide
CID 126343496
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-methoxy-5-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894783
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43894877
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43897299
N-(5-chloro-2-phenoxyphenyl)-2-(3-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126267522
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 43893894
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-3,5-dimethylanilino)acetamide
CID 43896718
N-(5-chloro-2-methoxyphenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 22193652
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51343942
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[5-chloro-2-(2-methoxyphenoxy)phenyl]acetamide
CID 43893000

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 43894011) is N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1Oc1ccc(Cl)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is AYBZSJOULQFBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24Cl2N2O5S/c1-19-10-13-23(14-11-19)38(34,35)32(22-7-5-6-20(29)16-22)18-28(33)31-24-17-21(30)12-15-25(24)37-27-9-4-3-8-26(27)36-2/h3-17H,18H2,1-2H3,(H,31,33).
What are the key properties of N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[5-chloro-2-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 571.48 g/mol, XLogP of 6.94, 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-(2-methoxyphenoxy)phenyl]-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43894011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).