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

C20H27N3O2S — CID 78766231

IUPACN-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(Cc1nnc(SCC(=O)NC2CCCCC2C)o1)c1ccccc1
InChIInChI=1S/C20H27N3O2S/c1-14-8-6-7-11-17(14)21-18(24)13-26-20-23-22-19(25-20)12-15(2)16-9-4-3-5-10-16/h3-5,9-10,14-15,17H,6-8,11-13H2,1-2H3,(H,21,24)
InChIKeyPJSCNDIMACXZCB-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.20
Rot. Bonds7

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

N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 78766231) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID78766231
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCC(Cc1nnc(SCC(=O)NC2CCCCC2C)o1)c1ccccc1
InChIInChI=1S/C20H27N3O2S/c1-14-8-6-7-11-17(14)21-18(24)13-26-20-23-22-19(25-20)12-15(2)16-9-4-3-5-10-16/h3-5,9-10,14-15,17H,6-8,11-13H2,1-2H3,(H,21,24)
InChIKeyPJSCNDIMACXZCB-UHFFFAOYSA-N
XLogP4.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 7994631
N-(cyclohexylcarbamoyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786667
N-(cyclopropylcarbamoyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 78766154
N-[(1S,2R)-2-methylcyclohexyl]-2-[[5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7318621
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 2482398
2-[[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 2482406
N-[(1R,2S)-2-methylcyclohexyl]-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7682970
N-(2-methylcyclohexyl)-2-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 3310208
N-(1-adamantylmethyl)-2-[[5-[(2S)-2-phenylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7907507
N-(4-bromophenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786729
N-[(1S,2S)-2-methylcyclohexyl]-2-[[5-[(2-oxopyrrolidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8012658
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 890231

Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 78766231) is N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is CC(Cc1nnc(SCC(=O)NC2CCCCC2C)o1)c1ccccc1.
What is the InChIKey of N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is PJSCNDIMACXZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14-8-6-7-11-17(14)21-18(24)13-26-20-23-22-19(25-20)12-15(2)16-9-4-3-5-10-16/h3-5,9-10,14-15,17H,6-8,11-13H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclohexyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 78766231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).