N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

C19H24N2O6S — CID 1317857

IUPACN-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H24N2O6S/c1-13(2)21-28(23,24)16-8-5-14(6-9-16)27-12-19(22)20-17-11-15(25-3)7-10-18(17)26-4/h5-11,13,21H,12H2,1-4H3,(H,20,22)
InChIKeyMROSXKHQWNCKOZ-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.41
Rot. Bonds9

About N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide

N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (PubChem CID 1317857) has the molecular formula C19H24N2O6S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
PubChem CID1317857
Molecular FormulaC19H24N2O6S
Molecular Weight408.48 g/mol
Exact Mass408.14
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
SMILESCOc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)c1
InChIInChI=1S/C19H24N2O6S/c1-13(2)21-28(23,24)16-8-5-14(6-9-16)27-12-19(22)20-17-11-15(25-3)7-10-18(17)26-4/h5-11,13,21H,12H2,1-4H3,(H,20,22)
InChIKeyMROSXKHQWNCKOZ-UHFFFAOYSA-N
XLogP2.41
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide (CID 1317857) is N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is COc1ccc(OC)c(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
The InChIKey is MROSXKHQWNCKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S/c1-13(2)21-28(23,24)16-8-5-14(6-9-16)27-12-19(22)20-17-11-15(25-3)7-10-18(17)26-4/h5-11,13,21H,12H2,1-4H3,(H,20,22).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide?
N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide has a molecular weight of 408.48 g/mol, XLogP of 2.41, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 1317857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).