3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide

C19H23BrN2O4S — CID 54783616

IUPAC3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C19H23BrN2O4S/c1-13(2)9-10-26-18-8-5-15(11-17(18)20)19(23)22-12-14-3-6-16(7-4-14)27(21,24)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyDKGPDOPBNGCJBC-UHFFFAOYSA-N
MW455.37 g/mol
LogP3.45
Rot. Bonds8

About 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide

3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (PubChem CID 54783616) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
PubChem CID54783616
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
SMILESCC(C)CCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br
InChIInChI=1S/C19H23BrN2O4S/c1-13(2)9-10-26-18-8-5-15(11-17(18)20)19(23)22-12-14-3-6-16(7-4-14)27(21,24)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyDKGPDOPBNGCJBC-UHFFFAOYSA-N
XLogP3.45
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-propan-2-yloxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783651
3-bromo-4-(3-methylbutoxy)-N-(thiophen-2-ylmethyl)benzamide
CID 54793444
N-[(4-fluorophenyl)methyl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 112791004
N-[[3-(benzylcarbamoyl)phenyl]carbamothioyl]-3-bromo-4-(3-methylbutoxy)benzamide
CID 43887161
5-bromo-2-(2-methylpropoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 54783682
3-fluoro-4-methoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 110761105
3-methylbutyl 3-bromo-4-(3-methylbutoxy)benzoate
CID 54793284
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 4-(3-methylbutoxy)benzoate
CID 42981381
3-bromo-N-(4-bromophenyl)-4-(3-methylbutoxy)benzamide
CID 17339332
3-bromo-4-(3-methylbutoxy)-N-[4-(3-methylbutoxy)phenyl]benzamide
CID 17339461
N'-[3-bromo-4-(3-methylbutoxy)benzoyl]-3,4,5-trimethoxybenzohydrazide
CID 17339516
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide (CID 54783616) is 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is CC(C)CCOc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc1Br.
What is the InChIKey of 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
The InChIKey is DKGPDOPBNGCJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-13(2)9-10-26-18-8-5-15(11-17(18)20)19(23)22-12-14-3-6-16(7-4-14)27(21,24)25/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,23)(H2,21,24,25).
What are the key properties of 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide?
3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide has a molecular weight of 455.37 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-methylbutoxy)-N-[(4-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 54783616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).