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

C19H19N3O4S — CID 35572487

IUPACN-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide
SMILESCCOc1ccc(-c2nsc(NC(=O)COc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-3-25-15-10-9-13(11-16(15)24-2)18-21-19(27-22-18)20-17(23)12-26-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,20,21,22,23)
InChIKeyUAJRCBJXKXFVPO-UHFFFAOYSA-N
MW385.45 g/mol
LogP3.63
Rot. Bonds8

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

N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide (PubChem CID 35572487) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide
PubChem CID35572487
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC NameN-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide
SMILESCCOc1ccc(-c2nsc(NC(=O)COc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H19N3O4S/c1-3-25-15-10-9-13(11-16(15)24-2)18-21-19(27-22-18)20-17(23)12-26-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,20,21,22,23)
InChIKeyUAJRCBJXKXFVPO-UHFFFAOYSA-N
XLogP3.63
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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]benzamide
CID 35345269
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17013950
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 35573064
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-3-propoxybenzamide
CID 35345895
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-ethylphenoxy)acetamide
CID 35573056
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
N-(4-ethoxy-3-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 9100487
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-methoxybenzamide
CID 17012358
(2S)-N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)propanamide
CID 35180744

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide?
The IUPAC name of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide (CID 35572487) is N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide is CCOc1ccc(-c2nsc(NC(=O)COc3ccccc3)n2)cc1OC.
What is the InChIKey of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide?
The InChIKey is UAJRCBJXKXFVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-3-25-15-10-9-13(11-16(15)24-2)18-21-19(27-22-18)20-17(23)12-26-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3,(H,20,21,22,23).
What are the key properties of N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide?
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-phenoxyacetamide has a molecular weight of 385.45 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-phenoxyacetamide is sourced from PubChem (CID 35572487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).