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

C18H15ClFN3O4S — CID 2347207

IUPACN-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3Cl)o2)cc1OC
InChIInChI=1S/C18H15ClFN3O4S/c1-25-14-6-3-10(7-15(14)26-2)17-22-23-18(27-17)28-9-16(24)21-13-5-4-11(20)8-12(13)19/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyAHGGWUJOWDAWDG-UHFFFAOYSA-N
MW423.85 g/mol
LogP4.28
Rot. Bonds7

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

N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 2347207) has the molecular formula C18H15ClFN3O4S and a molecular weight of 423.85 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID2347207
Molecular FormulaC18H15ClFN3O4S
Molecular Weight423.85 g/mol
Exact Mass423.05
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3Cl)o2)cc1OC
InChIInChI=1S/C18H15ClFN3O4S/c1-25-14-6-3-10(7-15(14)26-2)17-22-23-18(27-17)28-9-16(24)21-13-5-4-11(20)8-12(13)19/h3-8H,9H2,1-2H3,(H,21,24)
InChIKeyAHGGWUJOWDAWDG-UHFFFAOYSA-N
XLogP4.28
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.85
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 2347207) is N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3Cl)o2)cc1OC.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is AHGGWUJOWDAWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O4S/c1-25-14-6-3-10(7-15(14)26-2)17-22-23-18(27-17)28-9-16(24)21-13-5-4-11(20)8-12(13)19/h3-8H,9H2,1-2H3,(H,21,24).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 423.85 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 2347207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).