N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

C25H29N3O5S2 — CID 100790047

IUPACN-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H29N3O5S2/c1-19-9-12-22(13-10-19)35(32,33)28(16-15-21-7-5-4-6-8-21)18-25(29)27-24-17-23(14-11-20(24)2)34(30,31)26-3/h4-14,17,26H,15-16,18H2,1-3H3,(H,27,29)
InChIKeyWOXJXQDGOVGXLA-UHFFFAOYSA-N
MW515.66 g/mol
LogP3.08
Rot. Bonds10

About N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide

N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (PubChem CID 100790047) has the molecular formula C25H29N3O5S2 and a molecular weight of 515.66 g/mol. Its IUPAC name is N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
PubChem CID100790047
Molecular FormulaC25H29N3O5S2
Molecular Weight515.66 g/mol
Exact Mass515.15
IUPAC NameN-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
SMILESCNS(=O)(=O)c1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H29N3O5S2/c1-19-9-12-22(13-10-19)35(32,33)28(16-15-21-7-5-4-6-8-21)18-25(29)27-24-17-23(14-11-20(24)2)34(30,31)26-3/h4-14,17,26H,15-16,18H2,1-3H3,(H,27,29)
InChIKeyWOXJXQDGOVGXLA-UHFFFAOYSA-N
XLogP3.08
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.66
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100789963
2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100793293
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100790294
N-hydroxy-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 59105580
N-(3-methylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1232004
2-[(3,4-dimethoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100791458
N-(4-chloro-2-methylphenyl)-2-[(2,5-dimethylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100782435
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100791984
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 21380353
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 1123794
N-(5-chloro-2-methylphenyl)-2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069224

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide (CID 100790047) is N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is CNS(=O)(=O)c1ccc(C)c(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
The InChIKey is WOXJXQDGOVGXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5S2/c1-19-9-12-22(13-10-19)35(32,33)28(16-15-21-7-5-4-6-8-21)18-25(29)27-24-17-23(14-11-20(24)2)34(30,31)26-3/h4-14,17,26H,15-16,18H2,1-3H3,(H,27,29).
What are the key properties of N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide?
N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide has a molecular weight of 515.66 g/mol, XLogP of 3.08, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(methylsulfamoyl)phenyl]-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 100790047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).