2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide

C17H23N3O2S — CID 97098629

IUPAC2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCCCCc1noc([C@@H](C)SCC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H23N3O2S/c1-4-5-10-15-19-17(22-20-15)13(3)23-11-16(21)18-14-9-7-6-8-12(14)2/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyPGEZSHLOKBTDDZ-CYBMUJFWSA-N
MW333.46 g/mol
LogP4.15
Rot. Bonds8

About 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide

2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide (PubChem CID 97098629) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide
PubChem CID97098629
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Name2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide
SMILESCCCCc1noc([C@@H](C)SCC(=O)Nc2ccccc2C)n1
InChIInChI=1S/C17H23N3O2S/c1-4-5-10-15-19-17(22-20-15)13(3)23-11-16(21)18-14-9-7-6-8-12(14)2/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1
InChIKeyPGEZSHLOKBTDDZ-CYBMUJFWSA-N
XLogP4.15
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
N-(2-methylphenyl)-2-pyridin-2-ylsulfanylacetamide
CID 7027156
N-[2-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]-2-methylaniline
CID 78953796
3-butyl-5-propan-2-yl-1,2,4-oxadiazole
CID 123624408
2-[bis(4-fluorophenyl)methylsulfanyl]-N-(2-methylphenyl)acetamide
CID 99136888
2-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-3-one
CID 66099302
2-[[5-[4-[5-[2-(2-methylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]butyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)acetamide
CID 16761436
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylpropanamide
CID 40882881
N-(2-methylphenyl)-3-oxododecanamide
CID 25129600
2-(2-acetamidophenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 126190550
2-(3-aminobutylsulfanyl)-N-(2-methylphenyl)acetamide
CID 66231676
2-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119440797

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide (CID 97098629) is 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide is CCCCc1noc([C@@H](C)SCC(=O)Nc2ccccc2C)n1.
What is the InChIKey of 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide?
The InChIKey is PGEZSHLOKBTDDZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-4-5-10-15-19-17(22-20-15)13(3)23-11-16(21)18-14-9-7-6-8-12(14)2/h6-9,13H,4-5,10-11H2,1-3H3,(H,18,21)/t13-/m1/s1.
What are the key properties of 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide?
2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide has a molecular weight of 333.46 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(3-butyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanyl-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 97098629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).