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

C14H17N3O4S — CID 55732569

IUPACN-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2noc(C)n2)cc1OC
InChIInChI=1S/C14H17N3O4S/c1-9-15-13(17-21-9)7-22-8-14(18)16-10-4-5-11(19-2)12(6-10)20-3/h4-6H,7-8H2,1-3H3,(H,16,18)
InChIKeyGIQZBDANQCEKPE-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.27
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (PubChem CID 55732569) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
PubChem CID55732569
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide
SMILESCOc1ccc(NC(=O)CSCc2noc(C)n2)cc1OC
InChIInChI=1S/C14H17N3O4S/c1-9-15-13(17-21-9)7-22-8-14(18)16-10-4-5-11(19-2)12(6-10)20-3/h4-6H,7-8H2,1-3H3,(H,16,18)
InChIKeyGIQZBDANQCEKPE-UHFFFAOYSA-N
XLogP2.27
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide (CID 55732569) is N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is COc1ccc(NC(=O)CSCc2noc(C)n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
The InChIKey is GIQZBDANQCEKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9-15-13(17-21-9)7-22-8-14(18)16-10-4-5-11(19-2)12(6-10)20-3/h4-6H,7-8H2,1-3H3,(H,16,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 55732569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).