N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

C20H27N3O2S — CID 38638849

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCc1ccccc1-c1noc(CSCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1
InChIInChI=1S/C20H27N3O2S/c1-13-8-6-10-17(15(13)3)21-18(24)11-26-12-19-22-20(23-25-19)16-9-5-4-7-14(16)2/h4-5,7,9,13,15,17H,6,8,10-12H2,1-3H3,(H,21,24)/t13-,15-,17-/m1/s1
InChIKeyQWKFMGZUXNRPOF-FRFSOERESA-N
MW373.52 g/mol
LogP4.22
Rot. Bonds6

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (PubChem CID 38638849) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
PubChem CID38638849
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCc1ccccc1-c1noc(CSCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1
InChIInChI=1S/C20H27N3O2S/c1-13-8-6-10-17(15(13)3)21-18(24)11-26-12-19-22-20(23-25-19)16-9-5-4-7-14(16)2/h4-5,7,9,13,15,17H,6,8,10-12H2,1-3H3,(H,21,24)/t13-,15-,17-/m1/s1
InChIKeyQWKFMGZUXNRPOF-FRFSOERESA-N
XLogP4.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]acetamide
CID 25380722
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 11899134
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
CID 38638875
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 11907937
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 28689919
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51729245
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11925427
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 7041193
2-[(4-chlorophenyl)methylsulfanyl]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 2374570
N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 92662552
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylacetamide
CID 124838816
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(2,3,5,6-tetramethylphenyl)sulfanylacetamide
CID 11906066

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (CID 38638849) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is Cc1ccccc1-c1noc(CSCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The InChIKey is QWKFMGZUXNRPOF-FRFSOERESA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-13-8-6-10-17(15(13)3)21-18(24)11-26-12-19-22-20(23-25-19)16-9-5-4-7-14(16)2/h4-5,7,9,13,15,17H,6,8,10-12H2,1-3H3,(H,21,24)/t13-,15-,17-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide has a molecular weight of 373.52 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 38638849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).