2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide

C19H33NO2S — CID 118185625

IUPAC2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)CC(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO2S/c1-14(2)15-10-11-17(16(12-15)19(6,7)8)23(21,22)20(9)13-18(3,4)5/h10-12,14H,13H2,1-9H3
InChIKeyOBXUEGNJJOAJLF-UHFFFAOYSA-N
MW339.55 g/mol
LogP4.77
Rot. Bonds4

About 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide

2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide (PubChem CID 118185625) has the molecular formula C19H33NO2S and a molecular weight of 339.55 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
PubChem CID118185625
Molecular FormulaC19H33NO2S
Molecular Weight339.55 g/mol
Exact Mass339.22
IUPAC Name2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)N(C)CC(C)(C)C)c(C(C)(C)C)c1
InChIInChI=1S/C19H33NO2S/c1-14(2)15-10-11-17(16(12-15)19(6,7)8)23(21,22)20(9)13-18(3,4)5/h10-12,14H,13H2,1-9H3
InChIKeyOBXUEGNJJOAJLF-UHFFFAOYSA-N
XLogP4.77
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.55
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide (CID 118185625) is 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)N(C)CC(C)(C)C)c(C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
The InChIKey is OBXUEGNJJOAJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2S/c1-14(2)15-10-11-17(16(12-15)19(6,7)8)23(21,22)20(9)13-18(3,4)5/h10-12,14H,13H2,1-9H3.
What are the key properties of 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide?
2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide has a molecular weight of 339.55 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,2-dimethylpropyl)-N-methyl-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 118185625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).