N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide

C14H16N2O4S — CID 7254297

IUPACN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-3-5-12(6-4-10)21(18,19)8-7-14(17)15-13-9-11(2)20-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyDQZHNGUHYBIKHG-UHFFFAOYSA-N
MW308.36 g/mol
LogP2.09
Rot. Bonds5

About N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide

N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide (PubChem CID 7254297) has the molecular formula C14H16N2O4S and a molecular weight of 308.36 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide
PubChem CID7254297
Molecular FormulaC14H16N2O4S
Molecular Weight308.36 g/mol
Exact Mass308.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide
SMILESCc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C14H16N2O4S/c1-10-3-5-12(6-4-10)21(18,19)8-7-14(17)15-13-9-11(2)20-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyDQZHNGUHYBIKHG-UHFFFAOYSA-N
XLogP2.09
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide 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-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide (CID 7254297) is N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide is Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide?
The InChIKey is DQZHNGUHYBIKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S/c1-10-3-5-12(6-4-10)21(18,19)8-7-14(17)15-13-9-11(2)20-16-13/h3-6,9H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide?
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide has a molecular weight of 308.36 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide is sourced from PubChem (CID 7254297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).