4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide

C19H24N2O3S — CID 109060739

IUPAC4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)20-18(22)16-10-12-17(13-11-16)25(23,24)21(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,20,22)
InChIKeyUNBFZJZHOZEYQF-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.04
Rot. Bonds5

About 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide

4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide (PubChem CID 109060739) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
PubChem CID109060739
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC Name4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C19H24N2O3S/c1-19(2,3)20-18(22)16-10-12-17(13-11-16)25(23,24)21(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,20,22)
InChIKeyUNBFZJZHOZEYQF-UHFFFAOYSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[benzenesulfonyl(methyl)amino]methyl]-N-methylbenzamide
CID 26541994
4-[benzyl(methyl)sulfamoyl]-N-(3,5-dichlorophenyl)benzamide
CID 23825383
4-[benzyl(methyl)sulfamoyl]-N-(5-tert-butyl-1,3,4-oxadiazol-2-yl)benzamide
CID 3353866
4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]-N-(1-phenylethyl)benzamide
CID 132666915
4-[benzyl(methyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 23885342
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
4-[benzyl(methyl)sulfamoyl]-N-[4-[2-[[4-[benzyl(methyl)sulfamoyl]benzoyl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]benzamide
CID 4644127
N-tert-butyl-4-[(dimethylamino)methyl]benzamide
CID 60699335
N-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioyl]-2,2-dimethylpropanamide
CID 1259482
N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
4-[[2-[benzyl(methyl)amino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835092
4-[[4-(dimethylamino)phenyl]methyl-methylsulfamoyl]-N-methylbenzamide
CID 24525671

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide?
The IUPAC name of 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide (CID 109060739) is 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide?
The canonical SMILES for 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide is CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide?
The InChIKey is UNBFZJZHOZEYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-19(2,3)20-18(22)16-10-12-17(13-11-16)25(23,24)21(4)14-15-8-6-5-7-9-15/h5-13H,14H2,1-4H3,(H,20,22).
What are the key properties of 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide?
4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide has a molecular weight of 360.48 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)sulfamoyl]-N-tert-butylbenzamide is sourced from PubChem (CID 109060739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).