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

C25H28N2O4S — CID 4940984

IUPAC2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-5-16-31-24-9-7-6-8-22(24)25(28)26-20-11-13-21(14-12-20)32(29,30)27-23-15-10-18(2)17-19(23)3/h6-15,17,27H,4-5,16H2,1-3H3,(H,26,28)
InChIKeyXTFCUGDJXDDRPQ-UHFFFAOYSA-N
MW452.58 g/mol
LogP5.54
Rot. Bonds9

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

2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide (PubChem CID 4940984) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
PubChem CID4940984
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1
InChIInChI=1S/C25H28N2O4S/c1-4-5-16-31-24-9-7-6-8-22(24)25(28)26-20-11-13-21(14-12-20)32(29,30)27-23-15-10-18(2)17-19(23)3/h6-15,17,27H,4-5,16H2,1-3H3,(H,26,28)
InChIKeyXTFCUGDJXDDRPQ-UHFFFAOYSA-N
XLogP5.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.58
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-ethoxybenzamide
CID 4926353
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-(2-phenoxyethoxy)benzamide
CID 4954338
2-butoxy-N-(4-methylphenyl)benzamide
CID 4940933
N-[[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 4944514
2-butoxy-N-[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]benzamide
CID 54782829
N-(2,4-dimethylphenyl)-2-pentoxybenzamide
CID 4946491
2-hexoxy-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 4942054
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-(2-methoxyethoxy)benzamide
CID 17355406
2-butoxy-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 4940978
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]tetradecanamide
CID 54789624
5-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-methoxybenzamide
CID 17094248
N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126353986

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The IUPAC name of 2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide (CID 4940984) is 2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The canonical SMILES for 2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide is CCCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1.
What is the InChIKey of 2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
The InChIKey is XTFCUGDJXDDRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c1-4-5-16-31-24-9-7-6-8-22(24)25(28)26-20-11-13-21(14-12-20)32(29,30)27-23-15-10-18(2)17-19(23)3/h6-15,17,27H,4-5,16H2,1-3H3,(H,26,28).
What are the key properties of 2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide?
2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide has a molecular weight of 452.58 g/mol, XLogP of 5.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide is sourced from PubChem (CID 4940984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).