N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide

C16H26N2O3S — CID 109061117

IUPACN-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(2)10-11-17-22(20,21)14-8-6-13(7-9-14)15(19)18-16(3,4)5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyNVMBLEKFOUPKKS-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.54
Rot. Bonds6

About N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide

N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide (PubChem CID 109061117) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
PubChem CID109061117
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC NameN-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C16H26N2O3S/c1-12(2)10-11-17-22(20,21)14-8-6-13(7-9-14)15(19)18-16(3,4)5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19)
InChIKeyNVMBLEKFOUPKKS-UHFFFAOYSA-N
XLogP2.54
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
4-(3-methylbutylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 109061277
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
N-tert-butyl-4-[[4-(ethylsulfamoyl)benzoyl]amino]benzamide
CID 46584652
N-(2,4-dimethylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061283
N-(3-methylbutyl)-4-(2-phenylethylsulfamoyl)benzamide
CID 109061010
N-(3-chlorophenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061299
N-[(2-chlorophenyl)methyl]-4-(3-methylbutylsulfamoyl)benzamide
CID 109060799
4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
N-(4-chloro-2-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061303
N-(2-ethyl-6-methylphenyl)-4-(3-methylbutylsulfamoyl)benzamide
CID 109061292
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056923

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide?
The IUPAC name of N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide (CID 109061117) is N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide.
What is the SMILES notation for N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide?
The canonical SMILES for N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide is CC(C)CCNS(=O)(=O)c1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide?
The InChIKey is NVMBLEKFOUPKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-12(2)10-11-17-22(20,21)14-8-6-13(7-9-14)15(19)18-16(3,4)5/h6-9,12,17H,10-11H2,1-5H3,(H,18,19).
What are the key properties of N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide?
N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide has a molecular weight of 326.46 g/mol, XLogP of 2.54, 6 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-methylbutylsulfamoyl)benzamide is sourced from PubChem (CID 109061117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).