N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H15BrFN3O3S — CID 3895144

IUPACN-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)cc1
InChIInChI=1S/C18H15BrFN3O3S/c1-2-25-13-6-3-11(4-7-13)17-22-23-18(26-17)27-10-16(24)21-15-8-5-12(19)9-14(15)20/h3-9H,2,10H2,1H3,(H,21,24)
InChIKeyOKRAYOKUQAHMPX-UHFFFAOYSA-N
MW452.31 g/mol
LogP4.77
Rot. Bonds7

About N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 3895144) has the molecular formula C18H15BrFN3O3S and a molecular weight of 452.31 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID3895144
Molecular FormulaC18H15BrFN3O3S
Molecular Weight452.31 g/mol
Exact Mass451.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)cc1
InChIInChI=1S/C18H15BrFN3O3S/c1-2-25-13-6-3-11(4-7-13)17-22-23-18(26-17)27-10-16(24)21-15-8-5-12(19)9-14(15)20/h3-9H,2,10H2,1H3,(H,21,24)
InChIKeyOKRAYOKUQAHMPX-UHFFFAOYSA-N
XLogP4.77
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.31
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide with MolForge

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3443476
N-(5-bromo-2-pyridinyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4260808
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-fluoro-2-methylphenyl)acetamide
CID 3888191
N-(4-bromo-2-fluorophenyl)-2-[[5-(methylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 134010551
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-fluoro-2-methylphenyl)acetamide
CID 126177615
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-ethylphenyl)acetamide
CID 4030936
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(ethylcarbamoyl)acetamide
CID 7533565
N-(2,5-diethoxyphenyl)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 4035892
N-(4-fluoro-2-methylphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3633665
2-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-ethylphenyl)acetamide
CID 56731749
N-(2-bromo-4-methylphenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 26775100
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 5171023

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 3895144) is N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3F)o2)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is OKRAYOKUQAHMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O3S/c1-2-25-13-6-3-11(4-7-13)17-22-23-18(26-17)27-10-16(24)21-15-8-5-12(19)9-14(15)20/h3-9H,2,10H2,1H3,(H,21,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 452.31 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 3895144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).