N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

C26H28Br2N2O3S — CID 100797939

IUPACN-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H28Br2N2O3S/c1-4-20-14-23(28)15-21(5-2)26(20)29-25(31)17-30(16-19-8-10-22(27)11-9-19)34(32,33)24-12-6-18(3)7-13-24/h6-15H,4-5,16-17H2,1-3H3,(H,29,31)
InChIKeyGUOSCDWYVYSMNE-UHFFFAOYSA-N
MW608.40 g/mol
LogP6.47
Rot. Bonds9

About N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 100797939) has the molecular formula C26H28Br2N2O3S and a molecular weight of 608.40 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID100797939
Molecular FormulaC26H28Br2N2O3S
Molecular Weight608.40 g/mol
Exact Mass606.02
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C26H28Br2N2O3S/c1-4-20-14-23(28)15-21(5-2)26(20)29-25(31)17-30(16-19-8-10-22(27)11-9-19)34(32,33)24-12-6-18(3)7-13-24/h6-15H,4-5,16-17H2,1-3H3,(H,29,31)
InChIKeyGUOSCDWYVYSMNE-UHFFFAOYSA-N
XLogP6.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.40
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2,6-diethylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100797999
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(2,6-difluorophenyl)acetamide
CID 126086350
2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2,6-dichlorophenyl)acetamide
CID 126099420
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(2,6-diethylphenyl)acetamide
CID 126325627
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673
N-(4-acetamidophenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083352
N-(4-bromo-2,6-dimethylphenyl)-2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]acetamide
CID 100797904
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 100797673
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 126090029
4-[[2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzamide
CID 126072579
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3,4-dimethoxyphenyl)acetamide
CID 126062078

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 100797939) is N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is CCc1cc(Br)cc(CC)c1NC(=O)CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is GUOSCDWYVYSMNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Br2N2O3S/c1-4-20-14-23(28)15-21(5-2)26(20)29-25(31)17-30(16-19-8-10-22(27)11-9-19)34(32,33)24-12-6-18(3)7-13-24/h6-15H,4-5,16-17H2,1-3H3,(H,29,31).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 608.40 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-diethylphenyl)-2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 100797939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).