5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide

C20H25BrN2O5S — CID 17357251

IUPAC5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H25BrN2O5S/c1-20(2,3)23-29(25,26)16-8-6-15(7-9-16)22-19(24)17-13-14(21)5-10-18(17)28-12-11-27-4/h5-10,13,23H,11-12H2,1-4H3,(H,22,24)
InChIKeyIDAPFVKGPKREKG-UHFFFAOYSA-N
MW485.40 g/mol
LogP3.80
Rot. Bonds8

About 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide

5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide (PubChem CID 17357251) has the molecular formula C20H25BrN2O5S and a molecular weight of 485.40 g/mol. Its IUPAC name is 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
PubChem CID17357251
Molecular FormulaC20H25BrN2O5S
Molecular Weight485.40 g/mol
Exact Mass484.07
IUPAC Name5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
SMILESCOCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1
InChIInChI=1S/C20H25BrN2O5S/c1-20(2,3)23-29(25,26)16-8-6-15(7-9-16)22-19(24)17-13-14(21)5-10-18(17)28-12-11-27-4/h5-10,13,23H,11-12H2,1-4H3,(H,22,24)
InChIKeyIDAPFVKGPKREKG-UHFFFAOYSA-N
XLogP3.80
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.40
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357163
N-(4-acetamidophenyl)-5-bromo-2-(2-methoxyethoxy)benzamide
CID 17357157
5-bromo-N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide
CID 17051992
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17357269
5-bromo-N-[[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(2-methoxyethoxy)benzamide
CID 17357546
5-bromo-2-butoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17350003
5-bromo-2-(2-methoxyethoxy)-N-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 17357443
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17343317
5-bromo-2-ethoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352839
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
5-bromo-2-ethoxy-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17352919

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
The IUPAC name of 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide (CID 17357251) is 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
The canonical SMILES for 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide is COCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1.
What is the InChIKey of 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
The InChIKey is IDAPFVKGPKREKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O5S/c1-20(2,3)23-29(25,26)16-8-6-15(7-9-16)22-19(24)17-13-14(21)5-10-18(17)28-12-11-27-4/h5-10,13,23H,11-12H2,1-4H3,(H,22,24).
What are the key properties of 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide?
5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide has a molecular weight of 485.40 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(tert-butylsulfamoyl)phenyl]-2-(2-methoxyethoxy)benzamide is sourced from PubChem (CID 17357251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).