5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide

C25H35BrN2O4S — CID 17343418

IUPAC5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1
InChIInChI=1S/C25H35BrN2O4S/c1-4-7-8-9-18-32-24-15-10-20(26)19-23(24)25(29)27-21-11-13-22(14-12-21)33(30,31)28(16-5-2)17-6-3/h10-15,19H,4-9,16-18H2,1-3H3,(H,27,29)
InChIKeyKPPOIHABRXTIMI-UHFFFAOYSA-N
MW539.54 g/mol
LogP6.47
Rot. Bonds14

About 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide

5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide (PubChem CID 17343418) has the molecular formula C25H35BrN2O4S and a molecular weight of 539.54 g/mol. Its IUPAC name is 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
PubChem CID17343418
Molecular FormulaC25H35BrN2O4S
Molecular Weight539.54 g/mol
Exact Mass538.15
IUPAC Name5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide
SMILESCCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1
InChIInChI=1S/C25H35BrN2O4S/c1-4-7-8-9-18-32-24-15-10-20(26)19-23(24)25(29)27-21-11-13-22(14-12-21)33(30,31)28(16-5-2)17-6-3/h10-15,19H,4-9,16-18H2,1-3H3,(H,27,29)
InChIKeyKPPOIHABRXTIMI-UHFFFAOYSA-N
XLogP6.47
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.54
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-(3-methylbutoxy)benzamide
CID 17350783
5-bromo-N-[4-[(5-bromo-2-hexoxybenzoyl)amino]phenyl]-2-hexoxybenzamide
CID 17344071
5-bromo-2-butoxy-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 17350006
N-[4-[bis(prop-2-enyl)sulfamoyl]phenyl]-5-bromo-2-butoxybenzamide
CID 17350017
5-bromo-2-hexoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 17343411
5-bromo-2-butoxy-N-(4-hexoxyphenyl)benzamide
CID 17350069
5-bromo-N-[4-(dipropylcarbamoyl)phenyl]-2-hexoxybenzamide
CID 17196231
5-bromo-N-[[4-(dipropylsulfamoyl)phenyl]carbamothioyl]-2-ethoxybenzamide
CID 17353259
5-bromo-2-hexoxy-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 17343317
5-bromo-2-butoxy-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]benzamide
CID 17349929
5-bromo-2-hexoxy-N-(4-nitrophenyl)benzamide
CID 17343379
5-bromo-2-hexoxy-N-[4-(methylcarbamoyl)phenyl]benzamide
CID 28642686

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide?
The IUPAC name of 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide (CID 17343418) is 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide.
What is the SMILES notation for 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide?
The canonical SMILES for 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide is CCCCCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(CCC)CCC)cc1.
What is the InChIKey of 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide?
The InChIKey is KPPOIHABRXTIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35BrN2O4S/c1-4-7-8-9-18-32-24-15-10-20(26)19-23(24)25(29)27-21-11-13-22(14-12-21)33(30,31)28(16-5-2)17-6-3/h10-15,19H,4-9,16-18H2,1-3H3,(H,27,29).
What are the key properties of 5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide?
5-bromo-N-[4-(dipropylsulfamoyl)phenyl]-2-hexoxybenzamide has a molecular weight of 539.54 g/mol, XLogP of 6.47, 14 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-hexoxybenzamide is sourced from PubChem (CID 17343418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).