2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide

C21H25BrN2O4S — CID 4627515

IUPAC2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H25BrN2O4S/c1-15-13-16(22)7-12-20(15)28-14-21(25)23-17-8-10-19(11-9-17)29(26,27)24-18-5-3-2-4-6-18/h7-13,18,24H,2-6,14H2,1H3,(H,23,25)
InChIKeyPHJAAGDPTLYWQF-UHFFFAOYSA-N
MW481.41 g/mol
LogP4.39
Rot. Bonds7

About 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide

2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide (PubChem CID 4627515) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
PubChem CID4627515
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC Name2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide
SMILESCc1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C21H25BrN2O4S/c1-15-13-16(22)7-12-20(15)28-14-21(25)23-17-8-10-19(11-9-17)29(26,27)24-18-5-3-2-4-6-18/h7-13,18,24H,2-6,14H2,1H3,(H,23,25)
InChIKeyPHJAAGDPTLYWQF-UHFFFAOYSA-N
XLogP4.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(4-fluorophenyl)acetamide
CID 3657367
N-(4-bromo-2,6-dimethylphenyl)-2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]acetamide
CID 100796699
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4627504
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
2-(4-bromo-2-methylphenoxy)-N-[4-(2-cyclohexylethoxy)phenyl]acetamide
CID 17137684
N-(3-bromophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 1315890
5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357163
methyl 4-[[2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126360795
2-(4-bromo-2-methylphenoxy)-N-[4-[[4-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]phenyl]methyl]phenyl]acetamide
CID 5180817
2-[4-(cyclopentylsulfamoyl)phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 45375249
methyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 45374668
ethyl 4-[[2-[4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 2943450

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide (CID 4627515) is 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide is Cc1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide?
The InChIKey is PHJAAGDPTLYWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-15-13-16(22)7-12-20(15)28-14-21(25)23-17-8-10-19(11-9-17)29(26,27)24-18-5-3-2-4-6-18/h7-13,18,24H,2-6,14H2,1H3,(H,23,25).
What are the key properties of 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide?
2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide has a molecular weight of 481.41 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-methylphenoxy)-N-[4-(cyclohexylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 4627515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).