N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide

C20H21N3O3S — CID 35573056

IUPACN-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCOc1ccc(-c2nsc(NC(=O)COc3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-14-5-9-17(10-6-14)26-13-18(24)21-20-22-19(23-27-20)15-7-11-16(12-8-15)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,22,23,24)
InChIKeyQEHVBFDXHCHOCR-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.18
Rot. Bonds8

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

N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide (PubChem CID 35573056) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide
PubChem CID35573056
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide
SMILESCCOc1ccc(-c2nsc(NC(=O)COc3ccc(CC)cc3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-3-14-5-9-17(10-6-14)26-13-18(24)21-20-22-19(23-27-20)15-7-11-16(12-8-15)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,22,23,24)
InChIKeyQEHVBFDXHCHOCR-UHFFFAOYSA-N
XLogP4.18
TPSA73.34 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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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]-2-phenoxyacetamide
CID 35572487
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
N-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 35345260
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991376
2-(4-chlorophenoxy)-N-[3-(5-methylthiophen-2-yl)-1,2,4-thiadiazol-5-yl]acetamide
CID 22509515
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-methoxyphenyl)acetamide
CID 17013953
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 19197421
2-(4-ethoxyphenoxy)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 86980074
N-[3-(3,4-dimethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(3-methylphenoxy)acetamide
CID 17013950
2-(4-ethoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 3298902
2-(4-ethylphenoxy)-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 2484391

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide?
The IUPAC name of N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide (CID 35573056) is N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide.
What is the SMILES notation for N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide?
The canonical SMILES for N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide is CCOc1ccc(-c2nsc(NC(=O)COc3ccc(CC)cc3)n2)cc1.
What is the InChIKey of N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide?
The InChIKey is QEHVBFDXHCHOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-3-14-5-9-17(10-6-14)26-13-18(24)21-20-22-19(23-27-20)15-7-11-16(12-8-15)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide?
N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide has a molecular weight of 383.47 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethoxyphenyl)-1,2,4-thiadiazol-5-yl]-2-(4-ethylphenoxy)acetamide is sourced from PubChem (CID 35573056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).