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

C15H12FN3O2S2 — CID 86264863

IUPAC2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
SMILESCc1noc(-c2ccsc2NC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3O2S2/c1-9-17-14(21-19-9)12-6-7-22-15(12)18-13(20)8-23-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,20)
InChIKeyVHSFJYLSAYZZNN-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.98
Rot. Bonds5

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

2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide (PubChem CID 86264863) has the molecular formula C15H12FN3O2S2 and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
PubChem CID86264863
Molecular FormulaC15H12FN3O2S2
Molecular Weight349.41 g/mol
Exact Mass349.04
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide
SMILESCc1noc(-c2ccsc2NC(=O)CSc2ccc(F)cc2)n1
InChIInChI=1S/C15H12FN3O2S2/c1-9-17-14(21-19-9)12-6-7-22-15(12)18-13(20)8-23-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,20)
InChIKeyVHSFJYLSAYZZNN-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]-3-(trifluoromethyl)benzamide
CID 73167767
2-((4-fluorophenyl)thio)-N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)acetamide
CID 86266918
2-(benzylthio)-N-(2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl)acetamide
CID 73167769
N-(3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-3-(phenylsulfonyl)propanamide
CID 76150375
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-methylthiophene-2-carboxamide
CID 76150377
Methyl 4-{[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]carbamoyl}benzoate
CID 86264845
N-(3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl)-2-phenylacetamide
CID 86264857
4-(dimethylsulfamoyl)-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
CID 86264858
2-Fluoro-N-{2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-YL]thiophen-3-YL}benzamide
CID 53163739
3,4-difluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-3-yl]benzamide
CID 73167766
2-methyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]benzamide
CID 86264848
N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]-4-(trifluoromethyl)benzamide
CID 86264851

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide (CID 86264863) is 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide is Cc1noc(-c2ccsc2NC(=O)CSc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
The InChIKey is VHSFJYLSAYZZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2S2/c1-9-17-14(21-19-9)12-6-7-22-15(12)18-13(20)8-23-11-4-2-10(16)3-5-11/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide has a molecular weight of 349.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)thiophen-2-yl]acetamide is sourced from PubChem (CID 86264863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).