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

C16H18FN3O4S — CID 4277958

IUPACN-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide
SMILESO=C(CS(=O)(=O)c1nnc(-c2ccc(F)cc2)o1)NC1CCCCC1
InChIInChI=1S/C16H18FN3O4S/c17-12-8-6-11(7-9-12)15-19-20-16(24-15)25(22,23)10-14(21)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,18,21)
InChIKeyARNQHNHXFGNEPO-UHFFFAOYSA-N
MW367.40 g/mol
LogP2.10
Rot. Bonds5

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

N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide (PubChem CID 4277958) has the molecular formula C16H18FN3O4S and a molecular weight of 367.40 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide
PubChem CID4277958
Molecular FormulaC16H18FN3O4S
Molecular Weight367.40 g/mol
Exact Mass367.10
IUPAC NameN-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide
SMILESO=C(CS(=O)(=O)c1nnc(-c2ccc(F)cc2)o1)NC1CCCCC1
InChIInChI=1S/C16H18FN3O4S/c17-12-8-6-11(7-9-12)15-19-20-16(24-15)25(22,23)10-14(21)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,18,21)
InChIKeyARNQHNHXFGNEPO-UHFFFAOYSA-N
XLogP2.10
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide (CID 4277958) is N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide is O=C(CS(=O)(=O)c1nnc(-c2ccc(F)cc2)o1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide?
The InChIKey is ARNQHNHXFGNEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O4S/c17-12-8-6-11(7-9-12)15-19-20-16(24-15)25(22,23)10-14(21)18-13-4-2-1-3-5-13/h6-9,13H,1-5,10H2,(H,18,21).
What are the key properties of N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide?
N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide has a molecular weight of 367.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfonyl]acetamide is sourced from PubChem (CID 4277958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).