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

C20H22N2O3S — CID 10595347

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide
SMILESCCCc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C20H22N2O3S/c1-4-7-16-10-12-17(13-11-16)18-8-5-6-9-19(18)26(23,24)22-20-14(2)15(3)21-25-20/h5-6,8-13,22H,4,7H2,1-3H3
InChIKeyPTGBBGYJNDIZFK-UHFFFAOYSA-N
MW370.47 g/mol
LogP4.71
Rot. Bonds6

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide (PubChem CID 10595347) 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-propylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide
PubChem CID10595347
Molecular FormulaC20H22N2O3S
Molecular Weight370.47 g/mol
Exact Mass370.14
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide
SMILESCCCc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1
InChIInChI=1S/C20H22N2O3S/c1-4-7-16-10-12-17(13-11-16)18-8-5-6-9-19(18)26(23,24)22-20-14(2)15(3)21-25-20/h5-6,8-13,22H,4,7H2,1-3H3
InChIKeyPTGBBGYJNDIZFK-UHFFFAOYSA-N
XLogP4.71
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)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-propylphenyl)benzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide (CID 10595347) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide is CCCc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide?
The InChIKey is PTGBBGYJNDIZFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3S/c1-4-7-16-10-12-17(13-11-16)18-8-5-6-9-19(18)26(23,24)22-20-14(2)15(3)21-25-20/h5-6,8-13,22H,4,7H2,1-3H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(4-propylphenyl)benzenesulfonamide has a molecular weight of 370.47 g/mol, XLogP of 4.71, 6 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-propylphenyl)benzenesulfonamide is sourced from PubChem (CID 10595347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).