N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide

C21H23N3O4S — CID 3230670

IUPACN-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide
SMILESCCOc1ccc(-c2nnc(N(CCOC)C(=O)COc3ccccc3)s2)cc1
InChIInChI=1S/C21H23N3O4S/c1-3-27-18-11-9-16(10-12-18)20-22-23-21(29-20)24(13-14-26-2)19(25)15-28-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3
InChIKeyWMUCTYGMYXBBAN-UHFFFAOYSA-N
MW413.50 g/mol
LogP3.66
Rot. Bonds10

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

N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide (PubChem CID 3230670) has the molecular formula C21H23N3O4S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide
PubChem CID3230670
Molecular FormulaC21H23N3O4S
Molecular Weight413.50 g/mol
Exact Mass413.14
IUPAC NameN-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide
SMILESCCOc1ccc(-c2nnc(N(CCOC)C(=O)COc3ccccc3)s2)cc1
InChIInChI=1S/C21H23N3O4S/c1-3-27-18-11-9-16(10-12-18)20-22-23-21(29-20)24(13-14-26-2)19(25)15-28-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3
InChIKeyWMUCTYGMYXBBAN-UHFFFAOYSA-N
XLogP3.66
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-chlorophenoxy)-N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3230676
2-(4-chlorophenoxy)-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)acetamide
CID 3212622
N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-3-methylbenzamide
CID 3230667
N-(2-methoxyethyl)-3-(2-methoxyphenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 3212720
N-(1,3-benzothiazol-2-yl)-2-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(2-methoxyethyl)acetamide
CID 55580881
N-(2-methylpropyl)-2-phenoxy-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1451737
N-(2-methoxyethyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 3230914
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 43812677
N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-2-methoxy-N-(2-methoxyethyl)benzamide
CID 3212617
3-cyclopentyl-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)propanamide
CID 3212623
N-[2-(dimethylamino)ethyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-phenoxyacetamide
CID 7507488
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
The IUPAC name of N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide (CID 3230670) is N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
The canonical SMILES for N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide is CCOc1ccc(-c2nnc(N(CCOC)C(=O)COc3ccccc3)s2)cc1.
What is the InChIKey of N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
The InChIKey is WMUCTYGMYXBBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4S/c1-3-27-18-11-9-16(10-12-18)20-22-23-21(29-20)24(13-14-26-2)19(25)15-28-17-7-5-4-6-8-17/h4-12H,3,13-15H2,1-2H3.
What are the key properties of N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide?
N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide has a molecular weight of 413.50 g/mol, XLogP of 3.66, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-ethoxyphenyl)-1,3,4-thiadiazol-2-yl]-N-(2-methoxyethyl)-2-phenoxyacetamide is sourced from PubChem (CID 3230670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).