5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide

C24H33BrN2O4S — CID 17350783

IUPAC5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1
InChIInChI=1S/C24H33BrN2O4S/c1-5-14-27(15-6-2)32(29,30)21-10-8-20(9-11-21)26-24(28)22-17-19(25)7-12-23(22)31-16-13-18(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,26,28)
InChIKeyWHGYBJRKVXLEFT-UHFFFAOYSA-N
MW525.51 g/mol
LogP5.94
Rot. Bonds12

About 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide

5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide (PubChem CID 17350783) has the molecular formula C24H33BrN2O4S and a molecular weight of 525.51 g/mol. Its IUPAC name is 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide
PubChem CID17350783
Molecular FormulaC24H33BrN2O4S
Molecular Weight525.51 g/mol
Exact Mass524.13
IUPAC Name5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1
InChIInChI=1S/C24H33BrN2O4S/c1-5-14-27(15-6-2)32(29,30)21-10-8-20(9-11-21)26-24(28)22-17-19(25)7-12-23(22)31-16-13-18(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,26,28)
InChIKeyWHGYBJRKVXLEFT-UHFFFAOYSA-N
XLogP5.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.51
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
CID 17343418
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
5-bromo-2-(3-methylbutoxy)-N-phenylbenzamide
CID 17350689
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-5-bromo-2-butoxybenzamide
CID 17350017
5-bromo-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 17353259
N-(4-acetylphenyl)-5-bromo-2-(3-methylbutoxy)benzamide
CID 17350697
5-bromo-N-[4-(2-methoxyethoxy)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350835
5-bromo-N-(4-cyanophenyl)-2-(3-methylbutoxy)benzamide
CID 17350704
5-bromo-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-methoxybenzamide
CID 17094531
N-[4-(dipropylsulfamoyl)phenyl]-2-propoxybenzamide
CID 4947970
5-bromo-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylbutoxy)benzamide
CID 54782861
5-bromo-N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-2-(3-methylbutoxy)benzamide
CID 17235080

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide?
The IUPAC name of 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide (CID 17350783) is 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide.
What is the SMILES notation for 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide?
The canonical SMILES for 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide is CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1.
What is the InChIKey of 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide?
The InChIKey is WHGYBJRKVXLEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrN2O4S/c1-5-14-27(15-6-2)32(29,30)21-10-8-20(9-11-21)26-24(28)22-17-19(25)7-12-23(22)31-16-13-18(3)4/h7-12,17-18H,5-6,13-16H2,1-4H3,(H,26,28).
What are the key properties of 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide?
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide has a molecular weight of 525.51 g/mol, XLogP of 5.94, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide is sourced from PubChem (CID 17350783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).