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

C18H22FN3O2S — CID 55622293

IUPAC2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
SMILESCc1nc(C2(NC(=O)CSc3ccc(F)cc3)CCCCCC2)no1
InChIInChI=1S/C18H22FN3O2S/c1-13-20-17(22-24-13)18(10-4-2-3-5-11-18)21-16(23)12-25-15-8-6-14(19)7-9-15/h6-9H,2-5,10-12H2,1H3,(H,21,23)
InChIKeySNEJCVFCFPXIMO-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.98
Rot. Bonds5

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

2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide (PubChem CID 55622293) has the molecular formula C18H22FN3O2S and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
PubChem CID55622293
Molecular FormulaC18H22FN3O2S
Molecular Weight363.46 g/mol
Exact Mass363.14
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
SMILESCc1nc(C2(NC(=O)CSc3ccc(F)cc3)CCCCCC2)no1
InChIInChI=1S/C18H22FN3O2S/c1-13-20-17(22-24-13)18(10-4-2-3-5-11-18)21-16(23)12-25-15-8-6-14(19)7-9-15/h6-9H,2-5,10-12H2,1H3,(H,21,23)
InChIKeySNEJCVFCFPXIMO-UHFFFAOYSA-N
XLogP3.98
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide (CID 55622293) is 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide is Cc1nc(C2(NC(=O)CSc3ccc(F)cc3)CCCCCC2)no1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
The InChIKey is SNEJCVFCFPXIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2S/c1-13-20-17(22-24-13)18(10-4-2-3-5-11-18)21-16(23)12-25-15-8-6-14(19)7-9-15/h6-9H,2-5,10-12H2,1H3,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide?
2-(4-fluorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of 3.98, 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)cycloheptyl]acetamide is sourced from PubChem (CID 55622293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).