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

C18H18N4O2S — CID 53154005

IUPACN-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCc1noc(-c2ccc(SCC(=O)NCc3ccccc3)nc2)n1
InChIInChI=1S/C18H18N4O2S/c1-2-15-21-18(24-22-15)14-8-9-17(20-11-14)25-12-16(23)19-10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,23)
InChIKeyNDNCEGDKDCSYAO-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.10
Rot. Bonds7

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

N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (PubChem CID 53154005) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
PubChem CID53154005
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
SMILESCCc1noc(-c2ccc(SCC(=O)NCc3ccccc3)nc2)n1
InChIInChI=1S/C18H18N4O2S/c1-2-15-21-18(24-22-15)14-8-9-17(20-11-14)25-12-16(23)19-10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,23)
InChIKeyNDNCEGDKDCSYAO-UHFFFAOYSA-N
XLogP3.10
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 95098189
N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178816
N-(4-cyanophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153871
N-(2,4-dichlorophenyl)-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide
CID 53153883
N-benzyl-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367622
2-[[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 95098183
N-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-phenylacetamide
CID 53098206
2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-2-phenylacetamide;hydrochloride
CID 119317584
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-3-phenylpropanamide
CID 53049102
(2S)-2-amino-N-[2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]ethyl]-3-phenylpropanamide
CID 119317575
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688
N-benzyl-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
CID 7502583

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide (CID 53154005) is N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is CCc1noc(-c2ccc(SCC(=O)NCc3ccccc3)nc2)n1.
What is the InChIKey of N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
The InChIKey is NDNCEGDKDCSYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-2-15-21-18(24-22-15)14-8-9-17(20-11-14)25-12-16(23)19-10-13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,23).
What are the key properties of N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide?
N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide has a molecular weight of 354.44 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]sulfanyl]acetamide is sourced from PubChem (CID 53154005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).