N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide

C19H24N2O3S — CID 109060652

IUPACN-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-14-6-5-7-15(12-14)13-20-25(23,24)17-10-8-16(9-11-17)18(22)21-19(2,3)4/h5-12,20H,13H2,1-4H3,(H,21,22)
InChIKeyXLNYEODFJVYWEJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP3.00
Rot. Bonds5

About N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide

N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide (PubChem CID 109060652) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
PubChem CID109060652
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
SMILESCc1cccc(CNS(=O)(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C19H24N2O3S/c1-14-6-5-7-15(12-14)13-20-25(23,24)17-10-8-16(9-11-17)18(22)21-19(2,3)4/h5-12,20H,13H2,1-4H3,(H,21,22)
InChIKeyXLNYEODFJVYWEJ-UHFFFAOYSA-N
XLogP3.00
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-methylphenyl)methylsulfamoyl]-N-propylbenzamide
CID 109057844
N-(4-methylphenyl)-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109060662
N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109059006
N-[(3-methylphenyl)methyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 38295775
N-(3-methylphenyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109064583
N-tert-butyl-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232386
N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
CID 109061117
N-tert-butyl-4-(3-methylphenyl)benzamide
CID 59900664
4-(dimethylsulfamoyl)-N-[(3-methylphenyl)methyl]benzamide
CID 38294565
2-methoxy-N-methyl-5-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 53282747
N-(2-methoxyethyl)-3-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109063623
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
The IUPAC name of N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide (CID 109060652) is N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
The canonical SMILES for N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide is Cc1cccc(CNS(=O)(=O)c2ccc(C(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
The InChIKey is XLNYEODFJVYWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-14-6-5-7-15(12-14)13-20-25(23,24)17-10-8-16(9-11-17)18(22)21-19(2,3)4/h5-12,20H,13H2,1-4H3,(H,21,22).
What are the key properties of N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide?
N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide has a molecular weight of 360.48 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[(3-methylphenyl)methylsulfamoyl]benzamide is sourced from PubChem (CID 109060652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).