4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide

C19H23BrN2O4S — CID 55901716

IUPAC4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23BrN2O4S/c1-5-10-26-17-11-13(2)6-9-16(17)21-19(23)14-7-8-15(20)18(12-14)27(24,25)22(3)4/h6-9,11-12H,5,10H2,1-4H3,(H,21,23)
InChIKeyCEZVTUSUUPCQPS-UHFFFAOYSA-N
MW455.37 g/mol
LogP4.05
Rot. Bonds7

About 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide

4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide (PubChem CID 55901716) has the molecular formula C19H23BrN2O4S and a molecular weight of 455.37 g/mol. Its IUPAC name is 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide.

Molecular Properties

Compound Name4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide
PubChem CID55901716
Molecular FormulaC19H23BrN2O4S
Molecular Weight455.37 g/mol
Exact Mass454.06
IUPAC Name4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide
SMILESCCCOc1cc(C)ccc1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C19H23BrN2O4S/c1-5-10-26-17-11-13(2)6-9-16(17)21-19(23)14-7-8-15(20)18(12-14)27(24,25)22(3)4/h6-9,11-12H,5,10H2,1-4H3,(H,21,23)
InChIKeyCEZVTUSUUPCQPS-UHFFFAOYSA-N
XLogP4.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 103754686
N-(2-bromo-4-methylphenyl)-4-chloro-3-(dimethylsulfamoyl)benzamide
CID 26775018
4-bromo-N-(3,5-dimethylphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26409361
3-bromo-N-(2,5-dimethylphenyl)-4-propoxybenzamide
CID 17342692
4,5-dibromo-N-(4-methyl-2-propoxyphenyl)thiophene-2-carboxamide
CID 80534122
2,6-dichloro-N-(4-methyl-2-propoxyphenyl)pyridine-4-carboxamide
CID 87023490
4-bromo-N-(2-chloro-4,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 24684114
3-(dimethylsulfamoyl)-N-(2-ethoxyphenyl)-4-methylbenzamide
CID 110295913
4-bromo-N-(5-chloro-2-methoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 26094922
3-chloro-N-(2-ethoxy-4-methylphenyl)-4-iodobenzamide
CID 103221306
N-(2,4-dimethylphenyl)-3-methoxy-4-propoxybenzamide
CID 2600021
N-(4-methyl-2-propoxyphenyl)butanamide
CID 61061572

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide?
The IUPAC name of 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide (CID 55901716) is 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide.
What is the SMILES notation for 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide?
The canonical SMILES for 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide is CCCOc1cc(C)ccc1NC(=O)c1ccc(Br)c(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide?
The InChIKey is CEZVTUSUUPCQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O4S/c1-5-10-26-17-11-13(2)6-9-16(17)21-19(23)14-7-8-15(20)18(12-14)27(24,25)22(3)4/h6-9,11-12H,5,10H2,1-4H3,(H,21,23).
What are the key properties of 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide?
4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide has a molecular weight of 455.37 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(dimethylsulfamoyl)-N-(4-methyl-2-propoxyphenyl)benzamide is sourced from PubChem (CID 55901716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).