N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide

C23H29BrN2O4S — CID 100796699

IUPACN-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C23H29BrN2O4S/c1-15-13-20(31(28,29)26-19-7-5-4-6-8-19)9-10-21(15)30-14-22(27)25-23-16(2)11-18(24)12-17(23)3/h9-13,19,26H,4-8,14H2,1-3H3,(H,25,27)
InChIKeyGNAPEOHIVPMSAX-UHFFFAOYSA-N
MW509.47 g/mol
LogP5.00
Rot. Bonds7

About N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide

N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide (PubChem CID 100796699) has the molecular formula C23H29BrN2O4S and a molecular weight of 509.47 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
PubChem CID100796699
Molecular FormulaC23H29BrN2O4S
Molecular Weight509.47 g/mol
Exact Mass508.10
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
SMILESCc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C
InChIInChI=1S/C23H29BrN2O4S/c1-15-13-20(31(28,29)26-19-7-5-4-6-8-19)9-10-21(15)30-14-22(27)25-23-16(2)11-18(24)12-17(23)3/h9-13,19,26H,4-8,14H2,1-3H3,(H,25,27)
InChIKeyGNAPEOHIVPMSAX-UHFFFAOYSA-N
XLogP5.00
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.47
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide with MolForge

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Related Compounds

2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
CID 4627515
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
CID 100796625
N-benzyl-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 2237026
N-cycloheptyl-3-methyl-4-propoxybenzenesulfonamide
CID 35202091
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28554919
4-[2-(5-bromo-2-methyl-2,3-dihydroindol-1-yl)-2-oxoethoxy]-N-cyclohexyl-3-methylbenzenesulfonamide
CID 133238941
N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
CID 100796629
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796799
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796609
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(butylsulfamoyl)-2-chlorophenoxy]acetamide
CID 100800177

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide (CID 100796699) is N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide is Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)Nc1c(C)cc(Br)cc1C.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide?
The InChIKey is GNAPEOHIVPMSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O4S/c1-15-13-20(31(28,29)26-19-7-5-4-6-8-19)9-10-21(15)30-14-22(27)25-23-16(2)11-18(24)12-17(23)3/h9-13,19,26H,4-8,14H2,1-3H3,(H,25,27).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide?
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide has a molecular weight of 509.47 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide is sourced from PubChem (CID 100796699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).