2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide

C19H23BrN2O5S — CID 31541259

IUPAC2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H23BrN2O5S/c1-26-12-11-22-28(24,25)16-7-8-18(20)17(13-16)19(23)21-10-9-14-3-5-15(27-2)6-4-14/h3-8,13,22H,9-12H2,1-2H3,(H,21,23)
InChIKeyUTHWHVJAHXJCEL-UHFFFAOYSA-N
MW471.37 g/mol
LogP2.35
Rot. Bonds10

About 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide

2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 31541259) has the molecular formula C19H23BrN2O5S and a molecular weight of 471.37 g/mol. Its IUPAC name is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID31541259
Molecular FormulaC19H23BrN2O5S
Molecular Weight471.37 g/mol
Exact Mass470.05
IUPAC Name2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCCc2ccc(OC)cc2)c1
InChIInChI=1S/C19H23BrN2O5S/c1-26-12-11-22-28(24,25)16-7-8-18(20)17(13-16)19(23)21-10-9-14-3-5-15(27-2)6-4-14/h3-8,13,22H,9-12H2,1-2H3,(H,21,23)
InChIKeyUTHWHVJAHXJCEL-UHFFFAOYSA-N
XLogP2.35
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.37
LogP ≤ 52.35
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

2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 17474206
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(4-methylphenyl)methyl]benzamide
CID 31541929
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 39731459
propan-2-yl 2-[[2-bromo-5-(2-methoxyethylsulfamoyl)benzoyl]amino]acetate
CID 56543594
2-bromo-5-(2-methoxyethylsulfamoyl)-N-(1-methoxypropan-2-yl)benzamide
CID 43006104
2-bromo-N-[2-(4-chlorophenyl)ethyl]-5-methoxybenzamide
CID 27646500
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
2-bromo-N-(2-methoxyethyl)-5-sulfamoylbenzamide
CID 31540706
2-bromo-N-(2-hydroxy-2-phenylethyl)-5-(2-methoxyethylsulfamoyl)benzamide
CID 55527805
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 35150998
5-(2-methoxyethylsulfamoyl)-2-methyl-N-[2-(methylamino)ethyl]benzamide
CID 119500095
2-bromo-5-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 27774139

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 31541259) is 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide is COCCNS(=O)(=O)c1ccc(Br)c(C(=O)NCCc2ccc(OC)cc2)c1.
What is the InChIKey of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is UTHWHVJAHXJCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O5S/c1-26-12-11-22-28(24,25)16-7-8-18(20)17(13-16)19(23)21-10-9-14-3-5-15(27-2)6-4-14/h3-8,13,22H,9-12H2,1-2H3,(H,21,23).
What are the key properties of 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide?
2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 471.37 g/mol, XLogP of 2.35, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-methoxyethylsulfamoyl)-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 31541259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).