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

C20H21N3O2S — CID 38638875

IUPAC2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccccc1-c1noc(CSCC(=O)N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H21N3O2S/c1-14-8-6-7-11-17(14)20-22-19(25-23-20)13-26-12-18(24)21-15(2)16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyPFHZJZNVQSLZOM-HNNXBMFYSA-N
MW367.47 g/mol
LogP4.16
Rot. Bonds7

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

2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide (PubChem CID 38638875) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
PubChem CID38638875
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide
SMILESCc1ccccc1-c1noc(CSCC(=O)N[C@@H](C)c2ccccc2)n1
InChIInChI=1S/C20H21N3O2S/c1-14-8-6-7-11-17(14)20-22-19(25-23-20)13-26-12-18(24)21-15(2)16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeyPFHZJZNVQSLZOM-HNNXBMFYSA-N
XLogP4.16
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide with MolForge

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Related Compounds

N-(1-phenylethyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 42951167
N-[(1S)-1-phenylethyl]-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]acetamide
CID 51724996
N-[1-(4-chlorophenyl)ethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 133209743
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 38638849
N-(1-hydroxypropan-2-yl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110428206
N-[(1S)-2-hydroxy-1-phenylethyl]-3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50968169
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]butanoic acid
CID 105352752
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylethanol
CID 63345566
1-(2,3-dihydroindol-1-yl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]ethanone
CID 38638828
3-[3-(6-methyl-2-oxo-1-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 94081168
2-(2-methylphenyl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 9330230
2-(2-methylphenyl)sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 9330226

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
The IUPAC name of 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide (CID 38638875) is 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide is Cc1ccccc1-c1noc(CSCC(=O)N[C@@H](C)c2ccccc2)n1.
What is the InChIKey of 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
The InChIKey is PFHZJZNVQSLZOM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-14-8-6-7-11-17(14)20-22-19(25-23-20)13-26-12-18(24)21-15(2)16-9-4-3-5-10-16/h3-11,15H,12-13H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide?
2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-[(1S)-1-phenylethyl]acetamide is sourced from PubChem (CID 38638875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).