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

C17H20FN3O2S — CID 31163791

IUPAC2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
SMILESCc1nc(C2(NC(=O)CSc3ccc(F)cc3)CCCCC2)no1
InChIInChI=1S/C17H20FN3O2S/c1-12-19-16(21-23-12)17(9-3-2-4-10-17)20-15(22)11-24-14-7-5-13(18)6-8-14/h5-8H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyMIDLCBIRRUGTJL-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.59
Rot. Bonds5

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

2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide (PubChem CID 31163791) has the molecular formula C17H20FN3O2S and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
PubChem CID31163791
Molecular FormulaC17H20FN3O2S
Molecular Weight349.43 g/mol
Exact Mass349.13
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
SMILESCc1nc(C2(NC(=O)CSc3ccc(F)cc3)CCCCC2)no1
InChIInChI=1S/C17H20FN3O2S/c1-12-19-16(21-23-12)17(9-3-2-4-10-17)20-15(22)11-24-14-7-5-13(18)6-8-14/h5-8H,2-4,9-11H2,1H3,(H,20,22)
InChIKeyMIDLCBIRRUGTJL-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 55622293
2-(3,4-difluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 55528029
2-(2,5-dimethylphenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 71899000
3-(4-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]propanamide
CID 55528188
N-[1-(4-fluorophenyl)ethyl]-2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]amino]acetamide
CID 86865365
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2-(3-methyl-2-oxo-1-pyridinyl)acetamide
CID 71968872
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
2-(methylamino)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 119701756
4-(3-fluorophenoxy)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]butanamide
CID 55972300
2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 55538583
2-chloro-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclobutyl]acetamide
CID 166403701
2-ethoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]acetamide
CID 52571685

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide (CID 31163791) is 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide is Cc1nc(C2(NC(=O)CSc3ccc(F)cc3)CCCCC2)no1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
The InChIKey is MIDLCBIRRUGTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2S/c1-12-19-16(21-23-12)17(9-3-2-4-10-17)20-15(22)11-24-14-7-5-13(18)6-8-14/h5-8H,2-4,9-11H2,1H3,(H,20,22).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide is sourced from PubChem (CID 31163791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).