2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide

C18H23N3O2S — CID 71899000

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
SMILESCc1ccc(C)c(SCC(=O)NC2(c3noc(C)n3)CCCC2)c1
InChIInChI=1S/C18H23N3O2S/c1-12-6-7-13(2)15(10-12)24-11-16(22)20-18(8-4-5-9-18)17-19-14(3)23-21-17/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,22)
InChIKeyLELVTQUXUBHUDA-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.67
Rot. Bonds5

About 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide (PubChem CID 71899000) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
PubChem CID71899000
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
SMILESCc1ccc(C)c(SCC(=O)NC2(c3noc(C)n3)CCCC2)c1
InChIInChI=1S/C18H23N3O2S/c1-12-6-7-13(2)15(10-12)24-11-16(22)20-18(8-4-5-9-18)17-19-14(3)23-21-17/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,22)
InChIKeyLELVTQUXUBHUDA-UHFFFAOYSA-N
XLogP3.67
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide (CID 71899000) is 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide is Cc1ccc(C)c(SCC(=O)NC2(c3noc(C)n3)CCCC2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The InChIKey is LELVTQUXUBHUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-12-6-7-13(2)15(10-12)24-11-16(22)20-18(8-4-5-9-18)17-19-14(3)23-21-17/h6-7,10H,4-5,8-9,11H2,1-3H3,(H,20,22).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide is sourced from PubChem (CID 71899000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).