2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C17H17N3O2S2 — CID 16838827

IUPAC2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C17H17N3O2S2/c1-11(2)24-13-7-5-12(6-8-13)10-15(21)18-17-20-19-16(22-17)14-4-3-9-23-14/h3-9,11H,10H2,1-2H3,(H,18,20,21)
InChIKeyWSINMETZKHXFEI-UHFFFAOYSA-N
MW359.48 g/mol
LogP4.48
Rot. Bonds6

About 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 16838827) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID16838827
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(C)Sc1ccc(CC(=O)Nc2nnc(-c3cccs3)o2)cc1
InChIInChI=1S/C17H17N3O2S2/c1-11(2)24-13-7-5-12(6-8-13)10-15(21)18-17-20-19-16(22-17)14-4-3-9-23-14/h3-9,11H,10H2,1-2H3,(H,18,20,21)
InChIKeyWSINMETZKHXFEI-UHFFFAOYSA-N
XLogP4.48
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-propan-2-ylsulfanyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 18587122
N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylsulfanylphenyl)acetamide
CID 16838897
2-(4-chlorophenyl)-N-[5-[(4-propan-2-ylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974736
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanehydrazide
CID 63591351
methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
CID 55017257
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147646
N-[1-(4-ethylphenyl)ethyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 78588057
4-fluoro-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)benzamide
CID 4986401
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362560
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 41362573
4-methyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)thiadiazole-5-carboxamide
CID 45496806
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-thiophen-2-ylacetamide
CID 43975305

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 16838827) is 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(C)Sc1ccc(CC(=O)Nc2nnc(-c3cccs3)o2)cc1.
What is the InChIKey of 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is WSINMETZKHXFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11(2)24-13-7-5-12(6-8-13)10-15(21)18-17-20-19-16(22-17)14-4-3-9-23-14/h3-9,11H,10H2,1-2H3,(H,18,20,21).
What are the key properties of 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 359.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylsulfanylphenyl)-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 16838827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).