Basic information
- CAS
905756-11-8- Standard SMILES
CC(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(S(C)(=O)=O)s1- InChIKey
VHKHVEZXWBAGBT-UHFFFAOYSA-N- Molecular formula
- C16H21N3O4S2
- Average molar mass
- 383.5 g/mol
Names & identifiers
- Preferred name
- 2-(4-tert-butylphenoxy)-N-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]propanamide
- IUPAC
- 2-(4-tert-butylphenoxy)-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide
- English name
- 2-(4-tert-butylphenoxy)-N-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]propanamide
- Molecular formula
- C16H21N3O4S2
- Molecular weight
- 383.49
Names & synonyms
905756-11-82-(4-tert-butylphenoxy)-N-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]propanamide2-(4-(tert-butyl)phenoxy)-N-(5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl)propanamideSTK630330AKOS002324533AKOS005562712AKOS0163266412-(4-tert-butylphenoxy)-N-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)propanamide2-(4-tert-butylphenoxy)-N-[(2E)-5-(methylsulfonyl)-1,3,4-thiadiazol-2(3H)-ylidene]propanamideAO-022/43452667Propanamide, 2-[4-(1,1-dimethylethyl)phenoxy]-N-[5-(methylsulfonyl)-1,3,4-thiadiazol-2-yl]-
Database identifiers
- CAS
905756-11-8
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 563
Physicochemical properties
- Density
- 1.312 · 1.312±0.06 g/cm3(Predicted)
- pka
- 7.23 · 7.23±0.50(Predicted)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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