N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide

C28H42N2O3S — CID 54789624

IUPACN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H42N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-28(31)29-25-17-19-26(20-18-25)34(32,33)30-27-21-16-23(2)22-24(27)3/h16-22,30H,4-15H2,1-3H3,(H,29,31)
InChIKeyBMNIQKHESTXUEV-UHFFFAOYSA-N
MW486.72 g/mol
LogP7.74
Rot. Bonds16

About N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide (PubChem CID 54789624) has the molecular formula C28H42N2O3S and a molecular weight of 486.72 g/mol. Its IUPAC name is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide.

Molecular Properties

Compound NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide
PubChem CID54789624
Molecular FormulaC28H42N2O3S
Molecular Weight486.72 g/mol
Exact Mass486.29
IUPAC NameN-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C28H42N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-28(31)29-25-17-19-26(20-18-25)34(32,33)30-27-21-16-23(2)22-24(27)3/h16-22,30H,4-15H2,1-3H3,(H,29,31)
InChIKeyBMNIQKHESTXUEV-UHFFFAOYSA-N
XLogP7.74
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.72
LogP ≤ 57.74
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-[(3,4-dimethylphenyl)sulfamoyl]phenyl]heptanamide
CID 54790569
N-(2,4-dimethylphenyl)-4-(hexanoylamino)benzamide
CID 3645447
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
4-[(2,4-dimethylphenyl)sulfamoyl]-N-pentylbenzamide
CID 109061332
2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 4940984
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 4581682
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
pentyl N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]carbamate
CID 2247161
N-[4-(4-acetamidophenyl)sulfonylphenyl]decanamide
CID 3028150
2-(4-bromo-3-methylphenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013498
2-(2-chlorophenoxy)-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1014101

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide?
The IUPAC name of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide (CID 54789624) is N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide.
What is the SMILES notation for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide?
The canonical SMILES for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide is CCCCCCCCCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide?
The InChIKey is BMNIQKHESTXUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N2O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-28(31)29-25-17-19-26(20-18-25)34(32,33)30-27-21-16-23(2)22-24(27)3/h16-22,30H,4-15H2,1-3H3,(H,29,31).
What are the key properties of N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide?
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide has a molecular weight of 486.72 g/mol, XLogP of 7.74, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide is sourced from PubChem (CID 54789624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).