N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

C14H13N3O2S — CID 131913296

IUPACN-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCc1ccc2sccc2c1
InChIInChI=1S/C14H13N3O2S/c1-9-12(17-19-16-9)7-14(18)15-8-10-2-3-13-11(6-10)4-5-20-13/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyJVLWLMOLTGAHPX-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.45
Rot. Bonds4

About N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 131913296) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID131913296
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC NameN-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NCc1ccc2sccc2c1
InChIInChI=1S/C14H13N3O2S/c1-9-12(17-19-16-9)7-14(18)15-8-10-2-3-13-11(6-10)4-5-20-13/h2-6H,7-8H2,1H3,(H,15,18)
InChIKeyJVLWLMOLTGAHPX-UHFFFAOYSA-N
XLogP2.45
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 131913296) is N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NCc1ccc2sccc2c1.
What is the InChIKey of N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is JVLWLMOLTGAHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-9-12(17-19-16-9)7-14(18)15-8-10-2-3-13-11(6-10)4-5-20-13/h2-6H,7-8H2,1H3,(H,15,18).
What are the key properties of N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-5-ylmethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 131913296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).