2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide

C25H28BrN3O5S2 — CID 43874567

IUPAC2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H28BrN3O5S2/c1-19-4-6-21(7-5-19)17-29(36(33,34)24-14-10-22(26)11-15-24)18-25(30)27-16-20-8-12-23(13-9-20)35(31,32)28(2)3/h4-15H,16-18H2,1-3H3,(H,27,30)
InChIKeyGKVIMSVSWYASRC-UHFFFAOYSA-N
MW594.55 g/mol
LogP3.52
Rot. Bonds10

About 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide

2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide (PubChem CID 43874567) has the molecular formula C25H28BrN3O5S2 and a molecular weight of 594.55 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
PubChem CID43874567
Molecular FormulaC25H28BrN3O5S2
Molecular Weight594.55 g/mol
Exact Mass593.07
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
SMILESCc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C25H28BrN3O5S2/c1-19-4-6-21(7-5-19)17-29(36(33,34)24-14-10-22(26)11-15-24)18-25(30)27-16-20-8-12-23(13-9-20)35(31,32)28(2)3/h4-15H,16-18H2,1-3H3,(H,27,30)
InChIKeyGKVIMSVSWYASRC-UHFFFAOYSA-N
XLogP3.52
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500594.55
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874511
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 126066389
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126332941
2-[(4-bromophenyl)sulfonyl-(2-phenylethyl)amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874395
2-[benzyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide
CID 43874562
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 126064644
N-(4-acetamidophenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083352
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-ethoxypropyl)acetamide
CID 126331012
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-ethoxypropyl)acetamide
CID 126311474
N-(2-hydroxyethyl)-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126012468
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide (CID 43874567) is 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide is Cc1ccc(CN(CC(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
The InChIKey is GKVIMSVSWYASRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28BrN3O5S2/c1-19-4-6-21(7-5-19)17-29(36(33,34)24-14-10-22(26)11-15-24)18-25(30)27-16-20-8-12-23(13-9-20)35(31,32)28(2)3/h4-15H,16-18H2,1-3H3,(H,27,30).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide?
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide has a molecular weight of 594.55 g/mol, XLogP of 3.52, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-[[4-(dimethylsulfamoyl)phenyl]methyl]acetamide is sourced from PubChem (CID 43874567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).