N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide

C16H24N2O4S — CID 109063903

IUPACN-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)18-15(19)12-6-4-8-14(10-12)23(20,21)17-11-13-7-5-9-22-13/h4,6,8,10,13,17H,5,7,9,11H2,1-3H3,(H,18,19)
InChIKeyIGJYVSHKSUWLIH-UHFFFAOYSA-N
MW340.44 g/mol
LogP1.67
Rot. Bonds5

About N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide

N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide (PubChem CID 109063903) has the molecular formula C16H24N2O4S and a molecular weight of 340.44 g/mol. Its IUPAC name is N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
PubChem CID109063903
Molecular FormulaC16H24N2O4S
Molecular Weight340.44 g/mol
Exact Mass340.15
IUPAC NameN-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
SMILESCC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C16H24N2O4S/c1-16(2,3)18-15(19)12-6-4-8-14(10-12)23(20,21)17-11-13-7-5-9-22-13/h4,6,8,10,13,17H,5,7,9,11H2,1-3H3,(H,18,19)
InChIKeyIGJYVSHKSUWLIH-UHFFFAOYSA-N
XLogP1.67
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24639119
N-benzyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 51160928
N-[(3-methylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 74632236
3-(oxolan-2-ylmethylsulfamoyl)-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 43020050
N-(3-chlorophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063911
N-(5-methyl-2-pyridinyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 46651547
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785
N-(4-bromo-3-methylphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24646358
N-(3-methoxyphenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 43001593
3-(methylsulfamoyl)-N-(oxolan-2-ylmethyl)benzamide
CID 51160994

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide (CID 109063903) is N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide is CC(C)(C)NC(=O)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
The InChIKey is IGJYVSHKSUWLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-16(2,3)18-15(19)12-6-4-8-14(10-12)23(20,21)17-11-13-7-5-9-22-13/h4,6,8,10,13,17H,5,7,9,11H2,1-3H3,(H,18,19).
What are the key properties of N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide?
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide has a molecular weight of 340.44 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 109063903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).