2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

C26H31N3O6S2 — CID 100797730

IUPAC2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)Cc2ccccc2)cc1
InChIInChI=1S/C26H31N3O6S2/c1-5-35-22-12-15-23(16-13-22)37(33,34)29(18-21-9-7-6-8-10-21)19-26(30)27-25-17-24(14-11-20(25)2)36(31,32)28(3)4/h6-17H,5,18-19H2,1-4H3,(H,27,30)
InChIKeySYDUSHIGVWDWAB-UHFFFAOYSA-N
MW545.68 g/mol
LogP3.47
Rot. Bonds11

About 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide

2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (PubChem CID 100797730) has the molecular formula C26H31N3O6S2 and a molecular weight of 545.68 g/mol. Its IUPAC name is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
PubChem CID100797730
Molecular FormulaC26H31N3O6S2
Molecular Weight545.68 g/mol
Exact Mass545.17
IUPAC Name2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
SMILESCCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)Cc2ccccc2)cc1
InChIInChI=1S/C26H31N3O6S2/c1-5-35-22-12-15-23(16-13-22)37(33,34)29(18-21-9-7-6-8-10-21)19-26(30)27-25-17-24(14-11-20(25)2)36(31,32)28(3)4/h6-17H,5,18-19H2,1-4H3,(H,27,30)
InChIKeySYDUSHIGVWDWAB-UHFFFAOYSA-N
XLogP3.47
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.68
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100793296
2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791732
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100789963
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100792145
2-[benzyl-(3,4-dichlorophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 2695357
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-phenylacetamide
CID 7689071
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 21380353
2-[4-[[2-[benzyl-(4-ethoxyphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100797709
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100798092
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100790560
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791458

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The IUPAC name of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide (CID 100797730) is 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide.
What is the SMILES notation for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The canonical SMILES for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
The InChIKey is SYDUSHIGVWDWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O6S2/c1-5-35-22-12-15-23(16-13-22)37(33,34)29(18-21-9-7-6-8-10-21)19-26(30)27-25-17-24(14-11-20(25)2)36(31,32)28(3)4/h6-17H,5,18-19H2,1-4H3,(H,27,30).
What are the key properties of 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide?
2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide has a molecular weight of 545.68 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-ethoxyphenyl)sulfonylamino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide is sourced from PubChem (CID 100797730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).