2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide

C14H17N3O4S — CID 51080766

IUPAC2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide
SMILESCc1noc(CS(=O)(=O)CC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C14H17N3O4S/c1-10(12-6-4-3-5-7-12)15-13(18)8-22(19,20)9-14-16-11(2)17-21-14/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyXNYGRSCYPUPTIJ-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.17
Rot. Bonds6

About 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide

2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide (PubChem CID 51080766) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide
PubChem CID51080766
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide
SMILESCc1noc(CS(=O)(=O)CC(=O)NC(C)c2ccccc2)n1
InChIInChI=1S/C14H17N3O4S/c1-10(12-6-4-3-5-7-12)15-13(18)8-22(19,20)9-14-16-11(2)17-21-14/h3-7,10H,8-9H2,1-2H3,(H,15,18)
InChIKeyXNYGRSCYPUPTIJ-UHFFFAOYSA-N
XLogP1.17
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide 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-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide (CID 51080766) is 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide is Cc1noc(CS(=O)(=O)CC(=O)NC(C)c2ccccc2)n1.
What is the InChIKey of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide?
The InChIKey is XNYGRSCYPUPTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-10(12-6-4-3-5-7-12)15-13(18)8-22(19,20)9-14-16-11(2)17-21-14/h3-7,10H,8-9H2,1-2H3,(H,15,18).
What are the key properties of 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide?
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide has a molecular weight of 323.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfonyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 51080766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).