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

C19H19N3O4S — CID 17013953

IUPACN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1
InChIInChI=1S/C19H19N3O4S/c1-24-14-7-4-12(5-8-14)10-17(23)20-19-21-18(22-27-19)13-6-9-15(25-2)16(11-13)26-3/h4-9,11H,10H2,1-3H3,(H,20,21,22,23)
InChIKeyJEFWNRCLJGUQCF-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.41
Rot. Bonds7

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

N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 17013953) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID17013953
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1
InChIInChI=1S/C19H19N3O4S/c1-24-14-7-4-12(5-8-14)10-17(23)20-19-21-18(22-27-19)13-6-9-15(25-2)16(11-13)26-3/h4-9,11H,10H2,1-3H3,(H,20,21,22,23)
InChIKeyJEFWNRCLJGUQCF-UHFFFAOYSA-N
XLogP3.41
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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]-2-(3-methylphenoxy)acetamide
CID 17013950
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-methylbenzamide
CID 17012143
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 35345260
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide
CID 35572487
4-bromo-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 17013946
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-methoxybenzamide
CID 17012358
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 35573064
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 35345269
tris(N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-4-propan-2-yloxybenzamide);1,4-dioxane
CID 175653248

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide (CID 17013953) is N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)ns2)cc1.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is JEFWNRCLJGUQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-24-14-7-4-12(5-8-14)10-17(23)20-19-21-18(22-27-19)13-6-9-15(25-2)16(11-13)26-3/h4-9,11H,10H2,1-3H3,(H,20,21,22,23).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide?
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 385.45 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 17013953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).