N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide

C20H22N2O3S — CID 10761688

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C20H22N2O3S/c1-13(2)16-9-11-17(12-10-16)18-7-5-6-8-19(18)26(23,24)22-20-14(3)15(4)21-25-20/h5-13,22H,1-4H3
InChIKeyURUYBJIXMGUFIG-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.88
Rot. Bonds5

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide (PubChem CID 10761688) has the molecular formula C20H22N2O3S and a molecular weight of 370.47 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide
PubChem CID10761688
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccccc2-c2ccc(C(C)C)cc2)c1C
InChIInChI=1S/C20H22N2O3S/c1-13(2)16-9-11-17(12-10-16)18-7-5-6-8-19(18)26(23,24)22-20-14(3)15(4)21-25-20/h5-13,22H,1-4H3
InChIKeyURUYBJIXMGUFIG-UHFFFAOYSA-N
XLogP4.88
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)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-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide (CID 10761688) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(C(C)C)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide?
The InChIKey is URUYBJIXMGUFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-13(2)16-9-11-17(12-10-16)18-7-5-6-8-19(18)26(23,24)22-20-14(3)15(4)21-25-20/h5-13,22H,1-4H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propan-2-ylphenyl)benzenesulfonamide is sourced from PubChem (CID 10761688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).