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

C24H26N2O5S — CID 3943831

IUPAC2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-3-30-21-10-8-20(9-11-21)26-32(28,29)23-14-12-22(13-15-23)31-17-24(27)25-16-19-6-4-18(2)5-7-19/h4-15,26H,3,16-17H2,1-2H3,(H,25,27)
InChIKeyANUMSYPJNMNQMB-UHFFFAOYSA-N
MW454.55 g/mol
LogP3.89
Rot. Bonds10

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

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 3943831) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID3943831
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Name2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H26N2O5S/c1-3-30-21-10-8-20(9-11-21)26-32(28,29)23-14-12-22(13-15-23)31-17-24(27)25-16-19-6-4-18(2)5-7-19/h4-15,26H,3,16-17H2,1-2H3,(H,25,27)
InChIKeyANUMSYPJNMNQMB-UHFFFAOYSA-N
XLogP3.89
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875042
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
N-[(4-methylphenyl)methyl]-2-[4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 1319379
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 126397504
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 55335445
2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92671640
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-[4-[(4-ethoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 43875130
2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 28562504
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151
N-[(4-fluorophenyl)methyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553452
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-2-(4-methylphenoxy)acetamide
CID 108736002

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide (CID 3943831) is 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide is CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is ANUMSYPJNMNQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-3-30-21-10-8-20(9-11-21)26-32(28,29)23-14-12-22(13-15-23)31-17-24(27)25-16-19-6-4-18(2)5-7-19/h4-15,26H,3,16-17H2,1-2H3,(H,25,27).
What are the key properties of 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 454.55 g/mol, XLogP of 3.89, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 3943831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).