N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide

C18H15N5O2S — CID 53153871

IUPACN-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCc1noc(-c2ccc(SCC(=O)Nc3ccc(C#N)cc3)nc2)n1
InChIInChI=1S/C18H15N5O2S/c1-2-15-22-18(25-23-15)13-5-8-17(20-10-13)26-11-16(24)21-14-6-3-12(9-19)4-7-14/h3-8,10H,2,11H2,1H3,(H,21,24)
InChIKeyDMKRHFJHHWAURL-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.30
Rot. Bonds6

About N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide

N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 53153871) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID53153871
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC NameN-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCc1noc(-c2ccc(SCC(=O)Nc3ccc(C#N)cc3)nc2)n1
InChIInChI=1S/C18H15N5O2S/c1-2-15-22-18(25-23-15)13-5-8-17(20-10-13)26-11-16(24)21-14-6-3-12(9-19)4-7-14/h3-8,10H,2,11H2,1H3,(H,21,24)
InChIKeyDMKRHFJHHWAURL-UHFFFAOYSA-N
XLogP3.30
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(2,4-dichlorophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153883
N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53154005
2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 95098189
N-(3-chloro-4-fluorophenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153833
N-(4-cyanophenyl)-2-pyridin-2-ylsulfanylacetamide
CID 684468
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-oxo-1-pyridinyl]-N-(4-fluorophenyl)acetamide
CID 53137174
2-[6-(4-bromophenyl)pyridazin-3-yl]sulfanyl-N-(4-cyanophenyl)acetamide
CID 172640950
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]pentanamide
CID 50747831
N-(4-chloro-2-methylphenyl)-2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153843
N-(4-cyanophenyl)-2-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]acetamide
CID 53173941
2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 95098183
N-(4-cyanophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 17453263

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (CID 53153871) is N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is CCc1noc(-c2ccc(SCC(=O)Nc3ccc(C#N)cc3)nc2)n1.
What is the InChIKey of N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is DMKRHFJHHWAURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-2-15-22-18(25-23-15)13-5-8-17(20-10-13)26-11-16(24)21-14-6-3-12(9-19)4-7-14/h3-8,10H,2,11H2,1H3,(H,21,24).
What are the key properties of N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 365.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 53153871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).