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

C20H24N6O3S — CID 55538583

IUPAC2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
SMILESCOc1ccc(-n2c(C)nnc2SCC(=O)NC2(c3noc(C)n3)CCCC2)cc1
InChIInChI=1S/C20H24N6O3S/c1-13-23-24-19(26(13)15-6-8-16(28-3)9-7-15)30-12-17(27)22-20(10-4-5-11-20)18-21-14(2)29-25-18/h6-9H,4-5,10-12H2,1-3H3,(H,22,27)
InChIKeyISFZVOKXWFXSOI-UHFFFAOYSA-N
MW428.52 g/mol
LogP2.95
Rot. Bonds7

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

2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide (PubChem CID 55538583) has the molecular formula C20H24N6O3S and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
PubChem CID55538583
Molecular FormulaC20H24N6O3S
Molecular Weight428.52 g/mol
Exact Mass428.16
IUPAC Name2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
SMILESCOc1ccc(-n2c(C)nnc2SCC(=O)NC2(c3noc(C)n3)CCCC2)cc1
InChIInChI=1S/C20H24N6O3S/c1-13-23-24-19(26(13)15-6-8-16(28-3)9-7-15)30-12-17(27)22-20(10-4-5-11-20)18-21-14(2)29-25-18/h6-9H,4-5,10-12H2,1-3H3,(H,22,27)
InChIKeyISFZVOKXWFXSOI-UHFFFAOYSA-N
XLogP2.95
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

3-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]butanamide
CID 139009627
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
CID 31163791
N-[(4-methoxyphenyl)methyl]-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2671205
N-(2-methoxyethyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 40656156
1-(azocan-1-yl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 51145499
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
CID 40656149
N-(2,3-dimethylcyclohexyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51165930
N-(2-azaspiro[3.4]octan-6-yl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 166298742
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 40585253
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methylhexan-2-yl)acetamide
CID 42989494
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 30735800
4-methoxy-N'-[2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzohydrazide
CID 3144957

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The IUPAC name of 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide (CID 55538583) is 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide is COc1ccc(-n2c(C)nnc2SCC(=O)NC2(c3noc(C)n3)CCCC2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
The InChIKey is ISFZVOKXWFXSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3S/c1-13-23-24-19(26(13)15-6-8-16(28-3)9-7-15)30-12-17(27)22-20(10-4-5-11-20)18-21-14(2)29-25-18/h6-9H,4-5,10-12H2,1-3H3,(H,22,27).
What are the key properties of 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide?
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide has a molecular weight of 428.52 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide is sourced from PubChem (CID 55538583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).