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

C16H18ClN3O2S — CID 1170483

IUPACN-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(C2CCCCC2)o1)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,21)
InChIKeyGWOULEAFGGDFFZ-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.50
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (PubChem CID 1170483) has the molecular formula C16H18ClN3O2S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
PubChem CID1170483
Molecular FormulaC16H18ClN3O2S
Molecular Weight351.86 g/mol
Exact Mass351.08
IUPAC NameN-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
SMILESO=C(CSc1nnc(C2CCCCC2)o1)Nc1ccccc1Cl
InChIInChI=1S/C16H18ClN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,21)
InChIKeyGWOULEAFGGDFFZ-UHFFFAOYSA-N
XLogP4.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide (CID 1170483) is N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is O=C(CSc1nnc(C2CCCCC2)o1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is GWOULEAFGGDFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S/c17-12-8-4-5-9-13(12)18-14(21)10-23-16-20-19-15(22-16)11-6-2-1-3-7-11/h4-5,8-9,11H,1-3,6-7,10H2,(H,18,21).
What are the key properties of N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide?
N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 351.86 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(5-cyclohexyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 1170483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).