N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

C26H35BrN2O3S — CID 100798519

IUPACN-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C26H35BrN2O3S/c1-6-21-15-22(27)14-18(3)25(21)28-24(30)16-29(23-10-8-7-9-11-23)33(31,32)26-19(4)12-17(2)13-20(26)5/h12-15,23H,6-11,16H2,1-5H3,(H,28,30)
InChIKeyLRRKXHUUYZEMCK-UHFFFAOYSA-N
MW535.55 g/mol
LogP6.21
Rot. Bonds7

About N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide

N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (PubChem CID 100798519) has the molecular formula C26H35BrN2O3S and a molecular weight of 535.55 g/mol. Its IUPAC name is N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
PubChem CID100798519
Molecular FormulaC26H35BrN2O3S
Molecular Weight535.55 g/mol
Exact Mass534.16
IUPAC NameN-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C26H35BrN2O3S/c1-6-21-15-22(27)14-18(3)25(21)28-24(30)16-29(23-10-8-7-9-11-23)33(31,32)26-19(4)12-17(2)13-20(26)5/h12-15,23H,6-11,16H2,1-5H3,(H,28,30)
InChIKeyLRRKXHUUYZEMCK-UHFFFAOYSA-N
XLogP6.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.55
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-propylacetamide
CID 21373176
N-(4-bromo-2-fluorophenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373179
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(2,5-dimethylphenyl)acetamide
CID 126371932
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(3,5-dichlorophenyl)acetamide
CID 126371813
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 21373188
methyl 4-[cyclohexyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfamoyl]benzoate
CID 1169072
2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]-N-[2-methyl-5-(methylsulfamoyl)phenyl]acetamide
CID 100795192
N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 100797109
N-(3-chloro-4-methoxyphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 21373194
2-[cyclopropyl(methylsulfonyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 113147951
2-[cyclohexyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 4818302
2-[cycloheptyl(methyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 16577746

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide (CID 100798519) is N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is CCc1cc(Br)cc(C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
The InChIKey is LRRKXHUUYZEMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35BrN2O3S/c1-6-21-15-22(27)14-18(3)25(21)28-24(30)16-29(23-10-8-7-9-11-23)33(31,32)26-19(4)12-17(2)13-20(26)5/h12-15,23H,6-11,16H2,1-5H3,(H,28,30).
What are the key properties of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide?
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide has a molecular weight of 535.55 g/mol, XLogP of 6.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[cyclohexyl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 100798519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).