2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide

C23H21BrClN3O4S — CID 100794687

IUPAC2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrClN3O4S/c24-18-7-11-20(12-8-18)33(31,32)28(14-17-3-1-2-4-21(17)25)15-23(30)27-19-9-5-16(6-10-19)13-22(26)29/h1-12H,13-15H2,(H2,26,29)(H,27,30)
InChIKeyQLWCELWTAZXLTE-UHFFFAOYSA-N
MW550.86 g/mol
LogP3.96
Rot. Bonds9

About 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide

2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide (PubChem CID 100794687) has the molecular formula C23H21BrClN3O4S and a molecular weight of 550.86 g/mol. Its IUPAC name is 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide
PubChem CID100794687
Molecular FormulaC23H21BrClN3O4S
Molecular Weight550.86 g/mol
Exact Mass549.01
IUPAC Name2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C23H21BrClN3O4S/c24-18-7-11-20(12-8-18)33(31,32)28(14-17-3-1-2-4-21(17)25)15-23(30)27-19-9-5-16(6-10-19)13-22(26)29/h1-12H,13-15H2,(H2,26,29)(H,27,30)
InChIKeyQLWCELWTAZXLTE-UHFFFAOYSA-N
XLogP3.96
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.86
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide with MolForge

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083141
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126210472
2-[4-[[2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]phenyl]acetamide
CID 100793363
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetamide
CID 126213564
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 43874583
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 1284016
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 126201169
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126371863
methyl 4-[[2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 126069396
N-(3-chloro-4-methylphenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069656
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 126212387

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide (CID 100794687) is 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide is NC(=O)Cc1ccc(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide?
The InChIKey is QLWCELWTAZXLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrClN3O4S/c24-18-7-11-20(12-8-18)33(31,32)28(14-17-3-1-2-4-21(17)25)15-23(30)27-19-9-5-16(6-10-19)13-22(26)29/h1-12H,13-15H2,(H2,26,29)(H,27,30).
What are the key properties of 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide?
2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide has a molecular weight of 550.86 g/mol, XLogP of 3.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide is sourced from PubChem (CID 100794687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).