2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide

C22H28N2O6S — CID 1317274

IUPAC2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC
InChIInChI=1S/C22H28N2O6S/c1-28-20-13-8-17(14-21(20)29-2)23-22(25)15-30-18-9-11-19(12-10-18)31(26,27)24-16-6-4-3-5-7-16/h8-14,16,24H,3-7,15H2,1-2H3,(H,23,25)
InChIKeyIRUDIWPIQBGPGY-UHFFFAOYSA-N
MW448.54 g/mol
LogP3.33
Rot. Bonds9

About 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide

2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 1317274) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID1317274
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC
InChIInChI=1S/C22H28N2O6S/c1-28-20-13-8-17(14-21(20)29-2)23-22(25)15-30-18-9-11-19(12-10-18)31(26,27)24-16-6-4-3-5-7-16/h8-14,16,24H,3-7,15H2,1-2H3,(H,23,25)
InChIKeyIRUDIWPIQBGPGY-UHFFFAOYSA-N
XLogP3.33
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide (CID 1317274) is 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1OC.
What is the InChIKey of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is IRUDIWPIQBGPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-28-20-13-8-17(14-21(20)29-2)23-22(25)15-30-18-9-11-19(12-10-18)31(26,27)24-16-6-4-3-5-7-16/h8-14,16,24H,3-7,15H2,1-2H3,(H,23,25).
What are the key properties of 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide?
2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 448.54 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohexylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1317274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).