N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide

C23H28BrClN2O4S — CID 100797109

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(Br)cc2C)C2CCCCC2)cc1Cl
InChIInChI=1S/C23H28BrClN2O4S/c1-15-11-17(24)12-16(2)23(15)26-22(28)14-27(18-7-5-4-6-8-18)32(29,30)19-9-10-21(31-3)20(25)13-19/h9-13,18H,4-8,14H2,1-3H3,(H,26,28)
InChIKeyQNEWJEIWRLOZGF-UHFFFAOYSA-N
MW543.91 g/mol
LogP5.69
Rot. Bonds7

About N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide (PubChem CID 100797109) has the molecular formula C23H28BrClN2O4S and a molecular weight of 543.91 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
PubChem CID100797109
Molecular FormulaC23H28BrClN2O4S
Molecular Weight543.91 g/mol
Exact Mass542.06
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(Br)cc2C)C2CCCCC2)cc1Cl
InChIInChI=1S/C23H28BrClN2O4S/c1-15-11-17(24)12-16(2)23(15)26-22(28)14-27(18-7-5-4-6-8-18)32(29,30)19-9-10-21(31-3)20(25)13-19/h9-13,18H,4-8,14H2,1-3H3,(H,26,28)
InChIKeyQNEWJEIWRLOZGF-UHFFFAOYSA-N
XLogP5.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.91
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide with MolForge

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Related Compounds

2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(3-chloro-4-methylphenyl)acetamide
CID 3971662
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-methylacetamide
CID 2240865
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-cycloheptylacetamide
CID 3917250
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2-chlorophenyl)acetamide
CID 2241044
N-[(1R)-1-(4-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide
CID 94861484
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-propylacetamide
CID 3875641
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-(2,2-dimethylpropyl)acetamide
CID 100797119
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401454
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 4025829
2-[4-[[2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetyl]amino]phenyl]acetamide
CID 100796330
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797114
2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 100796300

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide (CID 100797109) is N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(Br)cc2C)C2CCCCC2)cc1Cl.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide?
The InChIKey is QNEWJEIWRLOZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28BrClN2O4S/c1-15-11-17(24)12-16(2)23(15)26-22(28)14-27(18-7-5-4-6-8-18)32(29,30)19-9-10-21(31-3)20(25)13-19/h9-13,18H,4-8,14H2,1-3H3,(H,26,28).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide has a molecular weight of 543.91 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-[(3-chloro-4-methoxyphenyl)sulfonyl-cyclohexylamino]acetamide is sourced from PubChem (CID 100797109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).