2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide

C20H14BrN3O2S — CID 646793

IUPAC2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc2ccccc12
InChIInChI=1S/C20H14BrN3O2S/c21-16-10-4-3-9-15(16)19-23-24-20(26-19)27-12-18(25)22-17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,22,25)
InChIKeyLIBOHYUFGUUJHN-UHFFFAOYSA-N
MW440.32 g/mol
LogP5.38
Rot. Bonds5

About 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide

2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide (PubChem CID 646793) has the molecular formula C20H14BrN3O2S and a molecular weight of 440.32 g/mol. Its IUPAC name is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide.

Molecular Properties

Compound Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
PubChem CID646793
Molecular FormulaC20H14BrN3O2S
Molecular Weight440.32 g/mol
Exact Mass439.00
IUPAC Name2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide
SMILESO=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc2ccccc12
InChIInChI=1S/C20H14BrN3O2S/c21-16-10-4-3-9-15(16)19-23-24-20(26-19)27-12-18(25)22-17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,22,25)
InChIKeyLIBOHYUFGUUJHN-UHFFFAOYSA-N
XLogP5.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.32
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 655365
2-{[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio}-N-1-naphthylacetamide
CID 2191947
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1H-quinolin-2-one
CID 712681
N-m-Tolyl-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 645555
N-(2,5-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 647583
N-(2,3-Dimethyl-phenyl)-2-(5-o-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656184
N-Phenyl-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 776426
N-(4-bromophenyl)-2-((5-phenyl-1,3,4-oxadiazol-2-yl)thio)acetamide
CID 1112655
3-[[2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]amino]benzoic Acid
CID 1286643
N-(3,4-Dimethylphenyl)-2-{[5-(3-methylphenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}acetamide
CID 4425770
2-{[5-(4-Bromophenyl)-1,3,4-oxadiazol-2-YL]sulfanyl}-N-(2,4-dimethylphenyl)acetamide
CID 3653069
2-[5-(2-Bromo-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-(3,5-dimethyl-phenyl)-acetamide
CID 651158

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The IUPAC name of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide (CID 646793) is 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
What is the SMILES notation for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The canonical SMILES for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide is O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc2ccccc12.
What is the InChIKey of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
The InChIKey is LIBOHYUFGUUJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O2S/c21-16-10-4-3-9-15(16)19-23-24-20(26-19)27-12-18(25)22-17-11-5-7-13-6-1-2-8-14(13)17/h1-11H,12H2,(H,22,25).
What are the key properties of 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide?
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide has a molecular weight of 440.32 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 646793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).