N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide

C21H27BrN2O4S — CID 100800911

IUPACN-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H27BrN2O4S/c1-5-16-13-17(22)12-15(4)21(16)23-20(25)14-28-18-8-10-19(11-9-18)29(26,27)24(6-2)7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyZOAWASYEFLWIFU-UHFFFAOYSA-N
MW483.43 g/mol
LogP4.37
Rot. Bonds9

About N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide

N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide (PubChem CID 100800911) has the molecular formula C21H27BrN2O4S and a molecular weight of 483.43 g/mol. Its IUPAC name is N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide
PubChem CID100800911
Molecular FormulaC21H27BrN2O4S
Molecular Weight483.43 g/mol
Exact Mass482.09
IUPAC NameN-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide
SMILESCCc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1
InChIInChI=1S/C21H27BrN2O4S/c1-5-16-13-17(22)12-15(4)21(16)23-20(25)14-28-18-8-10-19(11-9-18)29(26,27)24(6-2)7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25)
InChIKeyZOAWASYEFLWIFU-UHFFFAOYSA-N
XLogP4.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 100800892
N-(4-bromo-2,6-diethylphenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonyl-ethylamino]acetamide
CID 100797034
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 100799620
2-(4-bromophenoxy)-N-[[4-(diethylsulfamoyl)phenyl]carbamothioyl]acetamide
CID 3346128
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]acetamide
CID 100798052
N-[4-(diethylsulfamoyl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 1013330
2-[4-(diethylsulfamoyl)phenoxy]-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30402019
2-(4-bromo-2-ethylphenoxy)-N-[5-(diethylsulfamoyl)-2-methoxyphenyl]acetamide
CID 19203120
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 100797673
N-[[4-(diethylsulfamoyl)phenyl]methyl]-2-(4-ethylphenoxy)acetamide
CID 26423148
2-[(4-bromophenyl)sulfonyl-ethylamino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 45371881
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 19180420

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide (CID 100800911) is N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide is CCc1cc(Br)cc(C)c1NC(=O)COc1ccc(S(=O)(=O)N(CC)CC)cc1.
What is the InChIKey of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide?
The InChIKey is ZOAWASYEFLWIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27BrN2O4S/c1-5-16-13-17(22)12-15(4)21(16)23-20(25)14-28-18-8-10-19(11-9-18)29(26,27)24(6-2)7-3/h8-13H,5-7,14H2,1-4H3,(H,23,25).
What are the key properties of N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide?
N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide has a molecular weight of 483.43 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethyl-6-methylphenyl)-2-[4-(diethylsulfamoyl)phenoxy]acetamide is sourced from PubChem (CID 100800911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).