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

C16H15N3O2S2 — CID 73167769

IUPAC2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide
SMILESCc1noc(-c2sccc2NC(=O)CSCc2ccccc2)n1
InChIInChI=1S/C16H15N3O2S2/c1-11-17-16(21-19-11)15-13(7-8-23-15)18-14(20)10-22-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyYQFLQPNZWLUDEG-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.98
Rot. Bonds6

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

2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide (PubChem CID 73167769) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide.

Molecular Properties

Compound Name2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide
PubChem CID73167769
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide
SMILESCc1noc(-c2sccc2NC(=O)CSCc2ccccc2)n1
InChIInChI=1S/C16H15N3O2S2/c1-11-17-16(21-19-11)15-13(7-8-23-15)18-14(20)10-22-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20)
InChIKeyYQFLQPNZWLUDEG-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]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-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide?
The IUPAC name of 2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide (CID 73167769) is 2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide.
What is the SMILES notation for 2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide?
The canonical SMILES for 2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide is Cc1noc(-c2sccc2NC(=O)CSCc2ccccc2)n1.
What is the InChIKey of 2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide?
The InChIKey is YQFLQPNZWLUDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c1-11-17-16(21-19-11)15-13(7-8-23-15)18-14(20)10-22-9-12-5-3-2-4-6-12/h2-8H,9-10H2,1H3,(H,18,20).
What are the key properties of 2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide?
2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide has a molecular weight of 345.45 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]acetamide is sourced from PubChem (CID 73167769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).