2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide

C20H21N3O4S — CID 3955100

IUPAC2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)o2)cc1
InChIInChI=1S/C20H21N3O4S/c1-4-26-15-8-6-14(7-9-15)19-22-23-20(27-19)28-12-18(24)21-16-11-13(2)5-10-17(16)25-3/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyZIZQOJJPNRXYTO-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.18
Rot. Bonds8

About 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide

2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide (PubChem CID 3955100) has the molecular formula C20H21N3O4S and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
PubChem CID3955100
Molecular FormulaC20H21N3O4S
Molecular Weight399.47 g/mol
Exact Mass399.13
IUPAC Name2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide
SMILESCCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)o2)cc1
InChIInChI=1S/C20H21N3O4S/c1-4-26-15-8-6-14(7-9-15)19-22-23-20(27-19)28-12-18(24)21-16-11-13(2)5-10-17(16)25-3/h5-11H,4,12H2,1-3H3,(H,21,24)
InChIKeyZIZQOJJPNRXYTO-UHFFFAOYSA-N
XLogP4.18
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-(4-Hydroxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-N-phenyl-acetamide
CID 855986
N-{4-[(1Z)-1-(hydroxyimino)ethyl]phenyl}-2-{[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide (8c)
CID 122362928
2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(2,4-dimethoxyphenyl)acetamide
CID 646238
3-[2-(5-o-Tolyloxymethyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid ethyl ester
CID 648583
N-(3-Chloro-phenyl)-2-[5-(4-methoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetamide
CID 648851
N-(2-Methoxy-phenyl)-2-(5-p-tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetamide
CID 656273
N-(2-methoxyphenyl)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 779642
N-(3-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 1071228
2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1314628
3-{[5-(4-hydroxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-(2-methoxyphenyl)propanamide
CID 1940495
2-[[5-(4-Ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 2155741
N-(5-fluoro-2-methylphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 2188688

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The IUPAC name of 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide (CID 3955100) is 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide.
What is the SMILES notation for 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The canonical SMILES for 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide is CCOc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3OC)o2)cc1.
What is the InChIKey of 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide?
The InChIKey is ZIZQOJJPNRXYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-4-26-15-8-6-14(7-9-15)19-22-23-20(27-19)28-12-18(24)21-16-11-13(2)5-10-17(16)25-3/h5-11H,4,12H2,1-3H3,(H,21,24).
What are the key properties of 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide?
2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide has a molecular weight of 399.47 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methoxy-5-methylphenyl)acetamide is sourced from PubChem (CID 3955100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).