2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

C18H17N3O2S — CID 27991376

IUPAC2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-13-8-10-15(11-9-13)23-12-16(22)19-18-21-20-17(24-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21,22)
InChIKeyQOOUHAQYXLTQDM-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.79
Rot. Bonds6

About 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide

2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 27991376) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
PubChem CID27991376
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
SMILESCCc1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1
InChIInChI=1S/C18H17N3O2S/c1-2-13-8-10-15(11-9-13)23-12-16(22)19-18-21-20-17(24-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21,22)
InChIKeyQOOUHAQYXLTQDM-UHFFFAOYSA-N
XLogP3.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
2-(4-ethylphenoxy)-N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1382131
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100708318
N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813938
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813941
2-(2-methoxyphenoxy)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1398449
4-phenoxy-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 33004637
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 16572065
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-naphthalen-2-yloxyacetamide
CID 16813917
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-2-(4-chlorophenoxy)acetamide
CID 16813800
3-oxo-N-(5-phenyl-1,3,4-thiadiazol-2-yl)butanamide
CID 12669831
2-(4-phenylmethoxyphenoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 9109892

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide (CID 27991376) is 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is CCc1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)cc1.
What is the InChIKey of 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is QOOUHAQYXLTQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-2-13-8-10-15(11-9-13)23-12-16(22)19-18-21-20-17(24-18)14-6-4-3-5-7-14/h3-11H,2,12H2,1H3,(H,19,21,22).
What are the key properties of 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide?
2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 27991376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).