N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide

C18H22FN3O4S — CID 9190213

IUPACN-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1)C1CCCCC1
InChIInChI=1S/C18H22FN3O4S/c19-15-8-6-13(7-9-15)12-27(24,25)18-22-21-16(26-18)10-11-20-17(23)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,20,23)
InChIKeyDYTBHJUHHMBAPC-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.42
Rot. Bonds7

About N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide

N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide (PubChem CID 9190213) has the molecular formula C18H22FN3O4S and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
PubChem CID9190213
Molecular FormulaC18H22FN3O4S
Molecular Weight395.46 g/mol
Exact Mass395.13
IUPAC NameN-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCc1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1)C1CCCCC1
InChIInChI=1S/C18H22FN3O4S/c19-15-8-6-13(7-9-15)12-27(24,25)18-22-21-16(26-18)10-11-20-17(23)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,20,23)
InChIKeyDYTBHJUHHMBAPC-UHFFFAOYSA-N
XLogP2.42
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]benzamide
CID 9190243
N-[2-(5-benzylsulfonyl-1,3,4-oxadiazol-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 9190102
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]-3-methylbutanamide
CID 9190207
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538634
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-4-carboxamide
CID 9189649
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]-3-methylbutanamide
CID 9189591
N-[2-[5-[(2-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]piperidine-1-carboxamide
CID 9190179
N-[[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]methyl]pyridine-2-carboxamide
CID 9189643
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 16769811
N-[2-(4-hydroxyphenyl)ethyl]cyclooctanecarboxamide
CID 65023099
1-cyclohexyl-3-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]urea
CID 110321086
N-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 119263949

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide (CID 9190213) is N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide is O=C(NCCc1nnc(S(=O)(=O)Cc2ccc(F)cc2)o1)C1CCCCC1.
What is the InChIKey of N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is DYTBHJUHHMBAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O4S/c19-15-8-6-13(7-9-15)12-27(24,25)18-22-21-16(26-18)10-11-20-17(23)14-4-2-1-3-5-14/h6-9,14H,1-5,10-12H2,(H,20,23).
What are the key properties of N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide?
N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 395.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(4-fluorophenyl)methylsulfonyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 9190213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).