5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide

C18H21BrN2O4S — CID 54783682

IUPAC5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-12(2)11-25-17-8-5-14(19)9-16(17)18(22)21-10-13-3-6-15(7-4-13)26(20,23)24/h3-9,12H,10-11H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyAHEUXSMRLKYRRW-UHFFFAOYSA-N
MW441.35 g/mol
LogP3.06
Rot. Bonds7

About 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide

5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 54783682) has the molecular formula C18H21BrN2O4S and a molecular weight of 441.35 g/mol. Its IUPAC name is 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID54783682
Molecular FormulaC18H21BrN2O4S
Molecular Weight441.35 g/mol
Exact Mass440.04
IUPAC Name5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCC(C)COc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C18H21BrN2O4S/c1-12(2)11-25-17-8-5-14(19)9-16(17)18(22)21-10-13-3-6-15(7-4-13)26(20,23)24/h3-9,12H,10-11H2,1-2H3,(H,21,22)(H2,20,23,24)
InChIKeyAHEUXSMRLKYRRW-UHFFFAOYSA-N
XLogP3.06
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783616
5-bromo-N-[(2,4-dichlorophenyl)methyl]-2-(2-methylpropoxy)benzamide
CID 46762526
3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783651
5-bromo-2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 2214920
2-methoxy-4,5-dimethyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761535
5-methoxy-2-methyl-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 146043450
5-bromo-2-ethoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17230351
5-bromo-2-hydroxy-N-[[4-[methyl(propan-2-yl)sulfamoyl]phenyl]methyl]benzamide
CID 60584852
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
2-(5-bromo-1-benzofuran-3-yl)-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 18861075
6-bromo-2-(4-methylphenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1023165
5-bromo-2-(2-methylpropoxy)-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 17050773

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 54783682) is 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is CC(C)COc1ccc(Br)cc1C(=O)NCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is AHEUXSMRLKYRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O4S/c1-12(2)11-25-17-8-5-14(19)9-16(17)18(22)21-10-13-3-6-15(7-4-13)26(20,23)24/h3-9,12H,10-11H2,1-2H3,(H,21,22)(H2,20,23,24).
What are the key properties of 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 441.35 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 54783682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).