N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide

C20H21N3O5S — CID 35345260

IUPACN-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCCOc1ccc(-c2nsc(NC(=O)COc3ccccc3OC)n2)cc1OC
InChIInChI=1S/C20H21N3O5S/c1-4-27-16-10-9-13(11-17(16)26-3)19-22-20(29-23-19)21-18(24)12-28-15-8-6-5-7-14(15)25-2/h5-11H,4,12H2,1-3H3,(H,21,22,23,24)
InChIKeyGKZAOKURHLOSQK-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.64
Rot. Bonds9

About N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide

N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide (PubChem CID 35345260) has the molecular formula C20H21N3O5S and a molecular weight of 415.47 g/mol. Its IUPAC name is N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
PubChem CID35345260
Molecular FormulaC20H21N3O5S
Molecular Weight415.47 g/mol
Exact Mass415.12
IUPAC NameN-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
SMILESCCOc1ccc(-c2nsc(NC(=O)COc3ccccc3OC)n2)cc1OC
InChIInChI=1S/C20H21N3O5S/c1-4-27-16-10-9-13(11-17(16)26-3)19-22-20(29-23-19)21-18(24)12-28-15-8-6-5-7-14(15)25-2/h5-11H,4,12H2,1-3H3,(H,21,22,23,24)
InChIKeyGKZAOKURHLOSQK-UHFFFAOYSA-N
XLogP3.64
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide
CID 35572487
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345269
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17013950
3-chloro-N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345237
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 35573064
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide
CID 35345895
pentakis(N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenylacetamide);N,N-dimethylformamide
CID 175653182
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methylpropanamide
CID 17013841
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide?
The IUPAC name of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide (CID 35345260) is N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide?
The canonical SMILES for N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide is CCOc1ccc(-c2nsc(NC(=O)COc3ccccc3OC)n2)cc1OC.
What is the InChIKey of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide?
The InChIKey is GKZAOKURHLOSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S/c1-4-27-16-10-9-13(11-17(16)26-3)19-22-20(29-23-19)21-18(24)12-28-15-8-6-5-7-14(15)25-2/h5-11H,4,12H2,1-3H3,(H,21,22,23,24).
What are the key properties of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide?
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide has a molecular weight of 415.47 g/mol, XLogP of 3.64, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide is sourced from PubChem (CID 35345260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).