2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide

C26H29BrN2O4S — CID 17189555

IUPAC2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c(Br)c1
InChIInChI=1S/C26H29BrN2O4S/c1-5-17(2)20-9-14-24(23(27)15-20)33-16-25(30)28-21-10-12-22(13-11-21)34(31,32)29-26-18(3)7-6-8-19(26)4/h6-15,17,29H,5,16H2,1-4H3,(H,28,30)
InChIKeyLLJDIMMHQXTOGU-UHFFFAOYSA-N
MW545.50 g/mol
LogP6.40
Rot. Bonds9

About 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide

2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide (PubChem CID 17189555) has the molecular formula C26H29BrN2O4S and a molecular weight of 545.50 g/mol. Its IUPAC name is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
PubChem CID17189555
Molecular FormulaC26H29BrN2O4S
Molecular Weight545.50 g/mol
Exact Mass544.10
IUPAC Name2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
SMILESCCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c(Br)c1
InChIInChI=1S/C26H29BrN2O4S/c1-5-17(2)20-9-14-24(23(27)15-20)33-16-25(30)28-21-10-12-22(13-11-21)34(31,32)29-26-18(3)7-6-8-19(26)4/h6-15,17,29H,5,16H2,1-4H3,(H,28,30)
InChIKeyLLJDIMMHQXTOGU-UHFFFAOYSA-N
XLogP6.40
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.50
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide with MolForge

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Related Compounds

N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17189464
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 17189592
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2-ethoxyethoxy)phenyl]acetamide
CID 17189618
propyl 4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]benzoate
CID 17189488
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 17189506
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-methyl-N-phenylbenzamide
CID 17230322
4-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-butylbenzamide
CID 17195320
4-[(2R)-butan-2-yl]-N-(2,6-dimethylphenyl)benzenesulfonamide
CID 8504699
2-(2-bromo-4-phenylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4960689
2-[[2-(2-bromo-4-butan-2-ylphenoxy)acetyl]amino]-N-(3,4-dimethylphenyl)benzamide
CID 17189571
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 1334816

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide (CID 17189555) is 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide is CCC(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is LLJDIMMHQXTOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrN2O4S/c1-5-17(2)20-9-14-24(23(27)15-20)33-16-25(30)28-21-10-12-22(13-11-21)34(31,32)29-26-18(3)7-6-8-19(26)4/h6-15,17,29H,5,16H2,1-4H3,(H,28,30).
What are the key properties of 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide?
2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 545.50 g/mol, XLogP of 6.40, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-butan-2-ylphenoxy)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 17189555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).