N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide

C24H22N2O3S — CID 86645354

IUPACN-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide
SMILESC#CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-4-24(2,3)26-30(28,29)22-16-12-19(13-17-22)18-10-14-21(15-11-18)25-23(27)20-8-6-5-7-9-20/h1,5-17,26H,2-3H3,(H,25,27)
InChIKeyXPHCXMKJSCQZFR-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.30
Rot. Bonds6

About N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide

N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide (PubChem CID 86645354) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide
PubChem CID86645354
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC NameN-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide
SMILESC#CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C24H22N2O3S/c1-4-24(2,3)26-30(28,29)22-16-12-19(13-17-22)18-10-14-21(15-11-18)25-23(27)20-8-6-5-7-9-20/h1,5-17,26H,2-3H3,(H,25,27)
InChIKeyXPHCXMKJSCQZFR-UHFFFAOYSA-N
XLogP4.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[2-(2H-triazol-4-yl)propan-2-ylsulfamoyl]phenyl]phenyl]benzamide
CID 24823357
N-[4-(ethylsulfamoyl)phenyl]-4-phenylbenzamide
CID 1249984
N-(2-methylbut-3-yn-2-yl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 86645350
4-methylsulfonyl-N-(4-phenylphenyl)benzamide
CID 7998967
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[[4-(tert-butylsulfamoyl)phenyl]carbamothioyl]-4-phenylbenzamide
CID 3252740
N-[4-(acetylsulfamoyl)phenyl]-4-benzamidobenzamide
CID 17153285
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
N-[4-[[(2S)-butan-2-yl]sulfamoyl]phenyl]-4-phenylbenzamide
CID 2162899
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-phenylbenzamide
CID 126181507
N-(4-fluorophenyl)-4-[(4-phenylphenyl)sulfonylamino]benzamide
CID 46386313

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide?
The IUPAC name of N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide (CID 86645354) is N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide is C#CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide?
The InChIKey is XPHCXMKJSCQZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-4-24(2,3)26-30(28,29)22-16-12-19(13-17-22)18-10-14-21(15-11-18)25-23(27)20-8-6-5-7-9-20/h1,5-17,26H,2-3H3,(H,25,27).
What are the key properties of N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide?
N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2-methylbut-3-yn-2-ylsulfamoyl)phenyl]phenyl]benzamide is sourced from PubChem (CID 86645354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).