N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide

C20H28N2O3S — CID 56774306

IUPACN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide
SMILESCC(C)(C)c1cc(C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)C2(C)C)no1
InChIInChI=1S/C20H28N2O3S/c1-19(2,3)18-13-15(21-25-18)11-14-12-17(20(14,4)5)22-26(23,24)16-9-7-6-8-10-16/h6-10,13-14,17,22H,11-12H2,1-5H3/t14-,17+/m1/s1
InChIKeyKULCEXSRAIOZCV-PBHICJAKSA-N
MW376.52 g/mol
LogP3.91
Rot. Bonds5

About N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide

N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide (PubChem CID 56774306) has the molecular formula C20H28N2O3S and a molecular weight of 376.52 g/mol. Its IUPAC name is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide
PubChem CID56774306
Molecular FormulaC20H28N2O3S
Molecular Weight376.52 g/mol
Exact Mass376.18
IUPAC NameN-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide
SMILESCC(C)(C)c1cc(C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)C2(C)C)no1
InChIInChI=1S/C20H28N2O3S/c1-19(2,3)18-13-15(21-25-18)11-14-12-17(20(14,4)5)22-26(23,24)16-9-7-6-8-10-16/h6-10,13-14,17,22H,11-12H2,1-5H3/t14-,17+/m1/s1
InChIKeyKULCEXSRAIOZCV-PBHICJAKSA-N
XLogP3.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.52
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide 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 N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide?
The IUPAC name of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide (CID 56774306) is N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide?
The canonical SMILES for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide is CC(C)(C)c1cc(C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)C2(C)C)no1.
What is the InChIKey of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide?
The InChIKey is KULCEXSRAIOZCV-PBHICJAKSA-N. The full InChI is InChI=1S/C20H28N2O3S/c1-19(2,3)18-13-15(21-25-18)11-14-12-17(20(14,4)5)22-26(23,24)16-9-7-6-8-10-16/h6-10,13-14,17,22H,11-12H2,1-5H3/t14-,17+/m1/s1.
What are the key properties of N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide?
N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide has a molecular weight of 376.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-[(5-tert-butyl-1,2-oxazol-3-yl)methyl]-2,2-dimethylcyclobutyl]benzenesulfonamide is sourced from PubChem (CID 56774306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).