2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

C24H24BrClN2O3S — CID 126371863

IUPAC2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C24H24BrClN2O3S/c1-16-12-17(2)24(18(3)13-16)27-23(29)15-28(14-19-6-4-5-7-22(19)26)32(30,31)21-10-8-20(25)9-11-21/h4-13H,14-15H2,1-3H3,(H,27,29)
InChIKeyKWPZTEYLFBTMJE-UHFFFAOYSA-N
MW535.89 g/mol
LogP5.86
Rot. Bonds7

About 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 126371863) has the molecular formula C24H24BrClN2O3S and a molecular weight of 535.89 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID126371863
Molecular FormulaC24H24BrClN2O3S
Molecular Weight535.89 g/mol
Exact Mass534.04
IUPAC Name2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)c(C)c1
InChIInChI=1S/C24H24BrClN2O3S/c1-16-12-17(2)24(18(3)13-16)27-23(29)15-28(14-19-6-4-5-7-22(19)26)32(30,31)21-10-8-20(25)9-11-21/h4-13H,14-15H2,1-3H3,(H,27,29)
InChIKeyKWPZTEYLFBTMJE-UHFFFAOYSA-N
XLogP5.86
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.89
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 126201169
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetamide
CID 126213564
N-(2-chlorophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126069248
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
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
CID 126099420
N-(4-bromo-2,6-dimethylphenyl)-2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 100797904
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2-ethoxyphenyl)acetamide
CID 126204078
2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide
CID 100794687
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide (CID 126371863) is 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc(Br)cc2)c(C)c1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is KWPZTEYLFBTMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24BrClN2O3S/c1-16-12-17(2)24(18(3)13-16)27-23(29)15-28(14-19-6-4-5-7-22(19)26)32(30,31)21-10-8-20(25)9-11-21/h4-13H,14-15H2,1-3H3,(H,27,29).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide?
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 535.89 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 126371863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).