N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide

C21H28N2O3S — CID 54790569

IUPACN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-5-6-7-8-21(24)22-18-11-13-20(14-12-18)27(25,26)23-19-10-9-16(2)17(3)15-19/h9-15,23H,4-8H2,1-3H3,(H,22,24)
InChIKeyZVKUASAWGRSIIU-UHFFFAOYSA-N
MW388.53 g/mol
LogP5.01
Rot. Bonds9

About N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide

N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide (PubChem CID 54790569) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide.

Molecular Properties

Compound NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide
PubChem CID54790569
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide
SMILESCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-5-6-7-8-21(24)22-18-11-13-20(14-12-18)27(25,26)23-19-10-9-16(2)17(3)15-19/h9-15,23H,4-8H2,1-3H3,(H,22,24)
InChIKeyZVKUASAWGRSIIU-UHFFFAOYSA-N
XLogP5.01
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 55.01
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-(3,4-dimethylphenyl)dodecanamide
CID 4067786
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide
CID 54789624
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hexanamide
CID 4180072
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]decanamide
CID 19578382
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]-3-methylbut-2-enamide
CID 42998725
2-methoxyethyl 4-[4-[(3,4-dimethylphenyl)sulfamoyl]anilino]-4-oxobutanoate
CID 17339028
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[4-(4-acetamidophenyl)sulfonylphenyl]decanamide
CID 3028150
N-[4-(propylsulfamoyl)phenyl]pentanamide
CID 17321429
2-(3,5-dimethylphenoxy)-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 4510841
N-[4-(2-phenylethylsulfamoyl)phenyl]heptanamide
CID 54790596

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide?
The IUPAC name of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide (CID 54790569) is N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide.
What is the SMILES notation for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide?
The canonical SMILES for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide is CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1.
What is the InChIKey of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide?
The InChIKey is ZVKUASAWGRSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-5-6-7-8-21(24)22-18-11-13-20(14-12-18)27(25,26)23-19-10-9-16(2)17(3)15-19/h9-15,23H,4-8H2,1-3H3,(H,22,24).
What are the key properties of N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide?
N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide has a molecular weight of 388.53 g/mol, XLogP of 5.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide is sourced from PubChem (CID 54790569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).