2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide

C18H17N3O4S — CID 2235832

IUPAC2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESCOc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O4S/c1-23-14-8-12(9-15(10-14)24-2)17-20-21-18(25-17)26-11-16(22)19-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKFHFDDAIEFCEEY-UHFFFAOYSA-N
MW371.42 g/mol
LogP3.48
Rot. Bonds7

About 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide

2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (PubChem CID 2235832) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
PubChem CID2235832
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide
SMILESCOc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccccc3)o2)c1
InChIInChI=1S/C18H17N3O4S/c1-23-14-8-12(9-15(10-14)24-2)17-20-21-18(25-17)26-11-16(22)19-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyKFHFDDAIEFCEEY-UHFFFAOYSA-N
XLogP3.48
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoic acid
CID 2392265
2-((5-(3-Hydroxyphenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide
CID 1206453
1-(6-Methoxy-2,2,4-trimethyl-1-quinolinyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]ethanone
CID 1167735
3-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1311459
1-({[5-(3-Methoxyphenyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-1,2,3,4-tetrahydroquinoline
CID 2155716
1-(4-Methoxyphenyl)-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrrolidine-2,5-dione
CID 2905372
N-(4-methoxyphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 4033191
2-[5-(4-Diethylsulfamoyl-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3,5-dimethoxy-phenyl)-acetamide
CID 3184984
N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide (8c)
CID 122362928
N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide (8e)
CID 122362929
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 646238
N-tert-butyl-2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]thio]-N-(phenylmethyl)acetamide
CID 647616

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The IUPAC name of 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide (CID 2235832) is 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide.
What is the SMILES notation for 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The canonical SMILES for 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccccc3)o2)c1.
What is the InChIKey of 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
The InChIKey is KFHFDDAIEFCEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-23-14-8-12(9-15(10-14)24-2)17-20-21-18(25-17)26-11-16(22)19-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide?
2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide has a molecular weight of 371.42 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-phenylacetamide is sourced from PubChem (CID 2235832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).