N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide

C26H29BrN2O5S — CID 100796609

IUPACN-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C
InChIInChI=1S/C26H29BrN2O5S/c1-5-18-14-20(27)15-19(6-2)26(18)28-25(30)16-34-24-12-11-23(13-17(24)3)35(31,32)29-21-7-9-22(33-4)10-8-21/h7-15,29H,5-6,16H2,1-4H3,(H,28,30)
InChIKeyANADEDODKWITHA-UHFFFAOYSA-N
MW561.50 g/mol
LogP5.71
Rot. Bonds10

About N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide

N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide (PubChem CID 100796609) has the molecular formula C26H29BrN2O5S and a molecular weight of 561.50 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
PubChem CID100796609
Molecular FormulaC26H29BrN2O5S
Molecular Weight561.50 g/mol
Exact Mass560.10
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C
InChIInChI=1S/C26H29BrN2O5S/c1-5-18-14-20(27)15-19(6-2)26(18)28-25(30)16-34-24-12-11-23(13-17(24)3)35(31,32)29-21-7-9-22(33-4)10-8-21/h7-15,29H,5-6,16H2,1-4H3,(H,28,30)
InChIKeyANADEDODKWITHA-UHFFFAOYSA-N
XLogP5.71
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.50
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796799
N-(4-bromo-2,6-diethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
CID 100796629
N-(4-bromo-2,6-diethylphenyl)-2-[2-chloro-4-[(4-chlorophenyl)sulfamoyl]phenoxy]acetamide
CID 100800120
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 100800892
2-(4-bromo-2,6-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3335187
N-(4-methoxyphenyl)-2-[2-methyl-4-(propan-2-ylsulfamoyl)phenoxy]acetamide
CID 3961591
2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-phenylethyl]acetamide
CID 41032284
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 3539926
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 100800533
2-(4-bromophenoxy)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 1013312
N-(4-bromo-2,6-dimethylphenyl)-2-[2-methyl-4-(propylsulfamoyl)phenoxy]acetamide
CID 100796625
N-[5-[(4-bromophenyl)sulfamoyl]-2-methoxyphenyl]-2-(4-ethylphenoxy)acetamide
CID 4850822

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide (CID 100796609) is N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide is CCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
The InChIKey is ANADEDODKWITHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrN2O5S/c1-5-18-14-20(27)15-19(6-2)26(18)28-25(30)16-34-24-12-11-23(13-17(24)3)35(31,32)29-21-7-9-22(33-4)10-8-21/h7-15,29H,5-6,16H2,1-4H3,(H,28,30).
What are the key properties of N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide?
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide has a molecular weight of 561.50 g/mol, XLogP of 5.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide is sourced from PubChem (CID 100796609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).