N-[4-(benzylsulfamoyl)phenyl]octanamide

C21H28N2O3S — CID 4958608

IUPACN-[4-(benzylsulfamoyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-3-4-5-9-12-21(24)23-19-13-15-20(16-14-19)27(25,26)22-17-18-10-7-6-8-11-18/h6-8,10-11,13-16,22H,2-5,9,12,17H2,1H3,(H,23,24)
InChIKeyACGGCYKTCIIIIK-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.46
Rot. Bonds11

About N-[4-(benzylsulfamoyl)phenyl]octanamide

N-[4-(benzylsulfamoyl)phenyl]octanamide (PubChem CID 4958608) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[4-(benzylsulfamoyl)phenyl]octanamide.

Molecular Properties

Compound NameN-[4-(benzylsulfamoyl)phenyl]octanamide
PubChem CID4958608
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[4-(benzylsulfamoyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-2-3-4-5-9-12-21(24)23-19-13-15-20(16-14-19)27(25,26)22-17-18-10-7-6-8-11-18/h6-8,10-11,13-16,22H,2-5,9,12,17H2,1H3,(H,23,24)
InChIKeyACGGCYKTCIIIIK-UHFFFAOYSA-N
XLogP4.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
N-[4-(benzylsulfamoyl)phenyl]-4-chlorobutanamide
CID 17160967
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
CID 4958602
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
N-[4-(benzylsulfamoyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17145886
3-[4-(benzylsulfamoyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 126246447
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(benzylsulfamoyl)phenyl]-3-(2-chlorophenyl)propanamide
CID 17178995
formamide;N-phenylheptanamide
CID 143464966

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzylsulfamoyl)phenyl]octanamide?
The IUPAC name of N-[4-(benzylsulfamoyl)phenyl]octanamide (CID 4958608) is N-[4-(benzylsulfamoyl)phenyl]octanamide.
What is the SMILES notation for N-[4-(benzylsulfamoyl)phenyl]octanamide?
The canonical SMILES for N-[4-(benzylsulfamoyl)phenyl]octanamide is CCCCCCCC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1.
What is the InChIKey of N-[4-(benzylsulfamoyl)phenyl]octanamide?
The InChIKey is ACGGCYKTCIIIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-2-3-4-5-9-12-21(24)23-19-13-15-20(16-14-19)27(25,26)22-17-18-10-7-6-8-11-18/h6-8,10-11,13-16,22H,2-5,9,12,17H2,1H3,(H,23,24).
What are the key properties of N-[4-(benzylsulfamoyl)phenyl]octanamide?
N-[4-(benzylsulfamoyl)phenyl]octanamide has a molecular weight of 388.53 g/mol, XLogP of 4.46, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(benzylsulfamoyl)phenyl]octanamide is sourced from PubChem (CID 4958608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).