2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

C17H17N3O2S2 — CID 646769

IUPAC2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(-c2nnc(SCC(=O)NCc3cccs3)o2)c1
InChIInChI=1S/C17H17N3O2S2/c1-11-6-12(2)8-13(7-11)16-19-20-17(22-16)24-10-15(21)18-9-14-4-3-5-23-14/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyFCUTYWQQXVXHAJ-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.82
Rot. Bonds6

About 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide

2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 646769) has the molecular formula C17H17N3O2S2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID646769
Molecular FormulaC17H17N3O2S2
Molecular Weight359.48 g/mol
Exact Mass359.08
IUPAC Name2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCc1cc(C)cc(-c2nnc(SCC(=O)NCc3cccs3)o2)c1
InChIInChI=1S/C17H17N3O2S2/c1-11-6-12(2)8-13(7-11)16-19-20-17(22-16)24-10-15(21)18-9-14-4-3-5-23-14/h3-8H,9-10H2,1-2H3,(H,18,21)
InChIKeyFCUTYWQQXVXHAJ-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-Cyclopentyl-2-(5-m-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 861643
N-cyclopropyl-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7801686
N-cyclohexyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]acetamide
CID 697199
N-[4-[(5-naphthalen-1-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl]thiophene-2-carboxamide
CID 44246516
4-(5-Ethylsulfanyl-[1,3,4]oxadiazol-2-yl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 654811
2-[5-(3,5-Dimethyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-methyl-acetamide
CID 656324
N-[(4-benzylmorpholin-2-yl)methyl]-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 2998244
N-(cyclohexylmethyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 4428778
2-[[5-(5-Methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 17424837
N-cyclopentyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 861616
1-(Pyrrolidin-1-yl)-2-((5-(m-tolyl)-1,3,4-oxadiazol-2-yl)thio)ethanone
CID 861642
2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 3221347

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide (CID 646769) is 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is Cc1cc(C)cc(-c2nnc(SCC(=O)NCc3cccs3)o2)c1.
What is the InChIKey of 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is FCUTYWQQXVXHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S2/c1-11-6-12(2)8-13(7-11)16-19-20-17(22-16)24-10-15(21)18-9-14-4-3-5-23-14/h3-8H,9-10H2,1-2H3,(H,18,21).
What are the key properties of 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide?
2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 359.48 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 646769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).