N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide

C21H28N2O3S — CID 4958602

IUPACN-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-3-4-5-6-10-13-21(24)22-18-14-16-20(17-15-18)27(25,26)23(2)19-11-8-7-9-12-19/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H,22,24)
InChIKeyIYNUJRCOWIEAMV-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.81
Rot. Bonds10

About N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide

N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide (PubChem CID 4958602) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide.

Molecular Properties

Compound NameN-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
PubChem CID4958602
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
InChIInChI=1S/C21H28N2O3S/c1-3-4-5-6-10-13-21(24)22-18-14-16-20(17-15-18)27(25,26)23(2)19-11-8-7-9-12-19/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H,22,24)
InChIKeyIYNUJRCOWIEAMV-UHFFFAOYSA-N
XLogP4.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
ethyl 3-[4-[methyl(phenyl)sulfamoyl]anilino]-3-oxopropanoate
CID 17097503
N-[4-(benzylsulfamoyl)phenyl]octanamide
CID 4958608
N,N'-bis[4-(dipropylsulfamoyl)phenyl]decanediamide
CID 17080128
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-(4-acetamidophenyl)sulfonylphenyl]decanamide
CID 3028150
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596
4-heptoxy-N-[[4-[methyl(phenyl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 4950951
N-[4-[(E)-2-phenylethenyl]phenyl]dodecanamide
CID 127035783
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
formamide;N-phenylheptanamide
CID 143464966

Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide?
The IUPAC name of N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide (CID 4958602) is N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide.
What is the SMILES notation for N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide?
The canonical SMILES for N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide is CCCCCCCC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1.
What is the InChIKey of N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide?
The InChIKey is IYNUJRCOWIEAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-3-4-5-6-10-13-21(24)22-18-14-16-20(17-15-18)27(25,26)23(2)19-11-8-7-9-12-19/h7-9,11-12,14-17H,3-6,10,13H2,1-2H3,(H,22,24).
What are the key properties of N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide?
N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide has a molecular weight of 388.53 g/mol, XLogP of 4.81, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(phenyl)sulfamoyl]phenyl]octanamide is sourced from PubChem (CID 4958602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).