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

C20H17N3O2S — CID 46869076

IUPACN-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide
SMILESCc1noc(-c2c(C)csc2NC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H17N3O2S/c1-12-11-26-20(18(12)19-21-13(2)23-25-19)22-17(24)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyLIZNJENLIKQOAW-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.75
Rot. Bonds4

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

N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 46869076) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID46869076
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide
SMILESCc1noc(-c2c(C)csc2NC(=O)Cc2cccc3ccccc23)n1
InChIInChI=1S/C20H17N3O2S/c1-12-11-26-20(18(12)19-21-13(2)23-25-19)22-17(24)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKeyLIZNJENLIKQOAW-UHFFFAOYSA-N
XLogP4.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US9604977, Example 38
CID 72734565
N-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl)-2-(naphthalen-1-yl)acetamide
CID 46869074
n-(4-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-2-(4-(pyridin-4-yl)phenyl)acetamide
CID 46869146
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3,3-diphenylpropanamide
CID 73167772
N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-2-phenylacetamide
CID 86264857
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
CID 86264848
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide
CID 86264851
2-(2,4-difluorophenyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
CID 91814341
2,3,4-trifluoro-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)benzamide
CID 91814344
(6S)-6-methyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CID 98056256
3-[3-[(4-Fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-4,5-dimethylthiophen-2-amine
CID 43329975
N-[4,5-dimethyl-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]-4-fluorobenzamide
CID 46299794

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide (CID 46869076) is N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide is Cc1noc(-c2c(C)csc2NC(=O)Cc2cccc3ccccc23)n1.
What is the InChIKey of N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is LIZNJENLIKQOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-12-11-26-20(18(12)19-21-13(2)23-25-19)22-17(24)10-15-8-5-7-14-6-3-4-9-16(14)15/h3-9,11H,10H2,1-2H3,(H,22,24).
What are the key properties of N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide?
N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 363.44 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 46869076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).