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

C20H21N3O3S — CID 2920510

IUPAC2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14(16-6-4-3-5-7-16)21-18(24)13-27-20-23-22-19(26-20)12-15-8-10-17(25-2)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyYERTURAYZMGIAN-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.64
Rot. Bonds8

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

2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide (PubChem CID 2920510) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
PubChem CID2920510
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide
SMILESCOc1ccc(Cc2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1
InChIInChI=1S/C20H21N3O3S/c1-14(16-6-4-3-5-7-16)21-18(24)13-27-20-23-22-19(26-20)12-15-8-10-17(25-2)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24)
InChIKeyYERTURAYZMGIAN-UHFFFAOYSA-N
XLogP3.64
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2710942
3-(5-cyclohexyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxybenzyl)propanamide
CID 16189917
N-(3-fluoro-2-methylphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 2295372
N-(4-methoxyphenyl)-2-({5-[3-(4-methoxyphenyl)propyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetamide
CID 4033191
1-(3,4-Dihydro-1H-isoquinolin-2-yl)-2-[5-(4-methoxy-benzyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-ethanone
CID 656148
N-cyclohexyl-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 697202
N-Cyclopentyl-2-[5-(4-methoxy-benzyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 856652
2-[5-(4-Methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenethyl-acetamide
CID 1073178
1-({[5-(4-Methoxybenzyl)-1,3,4-oxadiazol-2-yl]thio}acetyl)-4-phenylpiperazine
CID 1285137
2-{[5-(4-methoxybenzyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-phenylethyl)acetamide
CID 1326340
N-cyclohexyl-2-[[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2155708
2-[[5-[(4-Methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(3-methylpiperidin-1-yl)ethanone
CID 3188548

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
The IUPAC name of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide (CID 2920510) is 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide is COc1ccc(Cc2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1.
What is the InChIKey of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
The InChIKey is YERTURAYZMGIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-14(16-6-4-3-5-7-16)21-18(24)13-27-20-23-22-19(26-20)12-15-8-10-17(25-2)11-9-15/h3-11,14H,12-13H2,1-2H3,(H,21,24).
What are the key properties of 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide?
2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(1-phenylethyl)acetamide is sourced from PubChem (CID 2920510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).