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

C17H20ClN3O2S — CID 31163818

IUPAC2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
SMILESCc1nc(C2(NC(=O)CSc3ccccc3Cl)CCCCC2)no1
InChIInChI=1S/C17H20ClN3O2S/c1-12-19-16(21-23-12)17(9-5-2-6-10-17)20-15(22)11-24-14-8-4-3-7-13(14)18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,20,22)
InChIKeyDTWYDPKOFSHGHC-UHFFFAOYSA-N
MW365.89 g/mol
LogP4.10
Rot. Bonds5

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

2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide (PubChem CID 31163818) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
PubChem CID31163818
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide
SMILESCc1nc(C2(NC(=O)CSc3ccccc3Cl)CCCCC2)no1
InChIInChI=1S/C17H20ClN3O2S/c1-12-19-16(21-23-12)17(9-5-2-6-10-17)20-15(22)11-24-14-8-4-3-7-13(14)18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,20,22)
InChIKeyDTWYDPKOFSHGHC-UHFFFAOYSA-N
XLogP4.10
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide (CID 31163818) is 2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide is Cc1nc(C2(NC(=O)CSc3ccccc3Cl)CCCCC2)no1.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
The InChIKey is DTWYDPKOFSHGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-12-19-16(21-23-12)17(9-5-2-6-10-17)20-15(22)11-24-14-8-4-3-7-13(14)18/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,20,22).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide?
2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide has a molecular weight of 365.89 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]acetamide is sourced from PubChem (CID 31163818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).