N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide

C22H20ClNO6S — CID 1236081

IUPACN-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO6S/c1-28-18-11-9-17(10-12-18)24(31(26,27)19-13-7-16(23)8-14-19)22(25)15-30-21-6-4-3-5-20(21)29-2/h3-14H,15H2,1-2H3
InChIKeyOLMWYXUZRAPQKA-UHFFFAOYSA-N
MW461.92 g/mol
LogP4.16
Rot. Bonds8

About N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide

N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide (PubChem CID 1236081) has the molecular formula C22H20ClNO6S and a molecular weight of 461.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide
PubChem CID1236081
Molecular FormulaC22H20ClNO6S
Molecular Weight461.92 g/mol
Exact Mass461.07
IUPAC NameN-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(N(C(=O)COc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H20ClNO6S/c1-28-18-11-9-17(10-12-18)24(31(26,27)19-13-7-16(23)8-14-19)22(25)15-30-21-6-4-3-5-20(21)29-2/h3-14H,15H2,1-2H3
InChIKeyOLMWYXUZRAPQKA-UHFFFAOYSA-N
XLogP4.16
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.92
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide (CID 1236081) is N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide is COc1ccc(N(C(=O)COc2ccccc2OC)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide?
The InChIKey is OLMWYXUZRAPQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClNO6S/c1-28-18-11-9-17(10-12-18)24(31(26,27)19-13-7-16(23)8-14-19)22(25)15-30-21-6-4-3-5-20(21)29-2/h3-14H,15H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide?
N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide has a molecular weight of 461.92 g/mol, XLogP of 4.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-2-(2-methoxyphenoxy)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1236081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).