N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide

C18H23N3O2S — CID 46540608

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2(c3noc(C)n3)CCCCC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-6-8-15(9-7-13)24-12-16(22)20-18(10-4-3-5-11-18)17-19-14(2)23-21-17/h6-9H,3-5,10-12H2,1-2H3,(H,20,22)
InChIKeyMKVBFAMXZMYESR-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.75
Rot. Bonds5

About N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 46540608) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
PubChem CID46540608
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide
SMILESCc1ccc(SCC(=O)NC2(c3noc(C)n3)CCCCC2)cc1
InChIInChI=1S/C18H23N3O2S/c1-13-6-8-15(9-7-13)24-12-16(22)20-18(10-4-3-5-11-18)17-19-14(2)23-21-17/h6-9H,3-5,10-12H2,1-2H3,(H,20,22)
InChIKeyMKVBFAMXZMYESR-UHFFFAOYSA-N
XLogP3.75
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide (CID 46540608) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide is Cc1ccc(SCC(=O)NC2(c3noc(C)n3)CCCCC2)cc1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is MKVBFAMXZMYESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-6-8-15(9-7-13)24-12-16(22)20-18(10-4-3-5-11-18)17-19-14(2)23-21-17/h6-9H,3-5,10-12H2,1-2H3,(H,20,22).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 345.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 46540608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).