N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide

C26H29BrN2O4S — CID 100800892

IUPACN-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C26H29BrN2O4S/c1-5-19-14-21(27)15-20(6-2)26(19)28-25(30)16-33-23-9-11-24(12-10-23)34(31,32)29-22-8-7-17(3)18(4)13-22/h7-15,29H,5-6,16H2,1-4H3,(H,28,30)
InChIKeyCGTNZEORKIOKPS-UHFFFAOYSA-N
MW545.50 g/mol
LogP6.01
Rot. Bonds9

About N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide

N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 100800892) has the molecular formula C26H29BrN2O4S and a molecular weight of 545.50 g/mol. Its IUPAC name is N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID100800892
Molecular FormulaC26H29BrN2O4S
Molecular Weight545.50 g/mol
Exact Mass544.10
IUPAC NameN-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
SMILESCCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C26H29BrN2O4S/c1-5-19-14-21(27)15-20(6-2)26(19)28-25(30)16-33-23-9-11-24(12-10-23)34(31,32)29-22-8-7-17(3)18(4)13-22/h7-15,29H,5-6,16H2,1-4H3,(H,28,30)
InChIKeyCGTNZEORKIOKPS-UHFFFAOYSA-N
XLogP6.01
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 ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-[(3,5-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 3435496
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-methoxyphenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796609
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-methylacetamide
CID 4015513
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 100800533
N-(3,4-difluorophenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 28553221
N-(3,4-dimethylphenyl)-2-[4-[(4-fluorophenyl)sulfamoyl]phenoxy]acetamide
CID 126394722
N-(2-ethyl-6-methylphenyl)-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 3900705
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796799
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-(2-methyl-5-nitrophenyl)acetamide
CID 3879058
N-(2,4-dimethoxyphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide
CID 126390204
2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]-N-naphthalen-1-ylacetamide
CID 3906228

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide (CID 100800892) is N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide is CCc1cc(Br)cc(CC)c1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is CGTNZEORKIOKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29BrN2O4S/c1-5-19-14-21(27)15-20(6-2)26(19)28-25(30)16-33-23-9-11-24(12-10-23)34(31,32)29-22-8-7-17(3)18(4)13-22/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-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide?
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 545.50 g/mol, XLogP of 6.01, 9 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-diethylphenyl)-2-[4-[(3,4-dimethylphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 100800892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).