N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

C24H26N2O5S — CID 2712532

IUPACN-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C
InChIInChI=1S/C24H26N2O5S/c1-4-30-23-8-6-5-7-21(23)25-24(27)16-31-22-14-13-20(15-18(22)3)32(28,29)26-19-11-9-17(2)10-12-19/h5-15,26H,4,16H2,1-3H3,(H,25,27)
InChIKeyQMRIUHFMATVMOJ-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.52
Rot. Bonds9

About N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide

N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 2712532) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID2712532
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC NameN-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C
InChIInChI=1S/C24H26N2O5S/c1-4-30-23-8-6-5-7-21(23)25-24(27)16-31-22-14-13-20(15-18(22)3)32(28,29)26-19-11-9-17(2)10-12-19/h5-15,26H,4,16H2,1-3H3,(H,25,27)
InChIKeyQMRIUHFMATVMOJ-UHFFFAOYSA-N
XLogP4.52
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide (CID 2712532) is N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is CCOc1ccccc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is QMRIUHFMATVMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-4-30-23-8-6-5-7-21(23)25-24(27)16-31-22-14-13-20(15-18(22)3)32(28,29)26-19-11-9-17(2)10-12-19/h5-15,26H,4,16H2,1-3H3,(H,25,27).
What are the key properties of N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide?
N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 454.55 g/mol, XLogP of 4.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 2712532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).