2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide

C28H23Cl3N2O4S — CID 17247518

IUPAC2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1
InChIInChI=1S/C28H23Cl3N2O4S/c1-19-2-12-27(13-3-19)38(35,36)33(17-20-4-6-21(29)7-5-20)25-8-10-26(11-9-25)37-18-28(34)32-24-15-22(30)14-23(31)16-24/h2-16H,17-18H2,1H3,(H,32,34)
InChIKeyRVXIHEJJGXWDDQ-UHFFFAOYSA-N
MW589.93 g/mol
LogP7.37
Rot. Bonds9

About 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide

2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 17247518) has the molecular formula C28H23Cl3N2O4S and a molecular weight of 589.93 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide
PubChem CID17247518
Molecular FormulaC28H23Cl3N2O4S
Molecular Weight589.93 g/mol
Exact Mass588.04
IUPAC Name2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1
InChIInChI=1S/C28H23Cl3N2O4S/c1-19-2-12-27(13-3-19)38(35,36)33(17-20-4-6-21(29)7-5-20)25-8-10-26(11-9-25)37-18-28(34)32-24-15-22(30)14-23(31)16-24/h2-16H,17-18H2,1H3,(H,32,34)
InChIKeyRVXIHEJJGXWDDQ-UHFFFAOYSA-N
XLogP7.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.93
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247535
N-(4-bromophenyl)-2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247509
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 99961252
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 99961243
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2-phenylethyl)acetamide
CID 17247484
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(pyridin-4-ylmethyl)acetamide
CID 99961185
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 92649355
N-(3-acetamidophenyl)-2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]acetamide
CID 17247460
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 99961161
N-(4-chlorophenyl)-2-[4-[(4-chlorophenyl)methyl-methylsulfonylamino]phenoxy]acetamide
CID 30129821
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 124537240
2-[4-[benzyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(2,4,6-trimethylphenyl)acetamide
CID 17247458

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide (CID 17247518) is 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide is Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide?
The InChIKey is RVXIHEJJGXWDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl3N2O4S/c1-19-2-12-27(13-3-19)38(35,36)33(17-20-4-6-21(29)7-5-20)25-8-10-26(11-9-25)37-18-28(34)32-24-15-22(30)14-23(31)16-24/h2-16H,17-18H2,1H3,(H,32,34).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide?
2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 589.93 g/mol, XLogP of 7.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]phenoxy]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 17247518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).