2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide

C19H19N3O2S — CID 1194383

IUPAC2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2nncs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-19(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)24-12-17(23)21-18-22-20-13-25-18/h3-11,13H,12H2,1-2H3,(H,21,22,23)
InChIKeyZHANIPOIZYFOMK-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.88
Rot. Bonds6

About 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 1194383) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID1194383
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2nncs2)cc1
InChIInChI=1S/C19H19N3O2S/c1-19(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)24-12-17(23)21-18-22-20-13-25-18/h3-11,13H,12H2,1-2H3,(H,21,22,23)
InChIKeyZHANIPOIZYFOMK-UHFFFAOYSA-N
XLogP3.88
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196914
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19196910
2-(4-tert-butylphenoxy)-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
CID 27991360
4-[4-(2-methylbutan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 2072136
N-(2-ethoxyphenyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 1183545
2-(4-tert-butylphenoxy)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]acetamide
CID 19178615
N-(2-methylpropyl)-2-[4-(2-phenylpropan-2-yl)phenoxy]acetamide
CID 19170892
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-tert-butylphenoxy)-N-(thiatriazol-5-yl)acetamide
CID 19114306
2-methoxy-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19183970
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29369167
2-(2,3-dimethylphenoxy)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 19178770

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 1194383) is 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide is CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2nncs2)cc1.
What is the InChIKey of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is ZHANIPOIZYFOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-19(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)24-12-17(23)21-18-22-20-13-25-18/h3-11,13H,12H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-phenylpropan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 1194383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).