Acetamide, N-(1,2,5,5a,6,9,9a,9b-octahydro-4-methyl-6,9-dioxonaphtho(2,1-b)thien-8-yl)-, S,S-dioxide
Basic information
- CAS
130639-74-6- Standard SMILES
CC(=O)NC1=CC(=O)C2CC(C)=C3C(CCS3(=O)=O)C2C1=O- InChIKey
RLZYDTPAYBFXDE-UHFFFAOYSA-N- Molecular formula
- C15H17NO5S
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.08274382
Names & identifiers
- Preferred name
- Acetamide, N-(1,2,5,5a,6,9,9a,9b-octahydro-4-methyl-6,9-dioxonaphtho(2,1-b)thien-8-yl)-, S,S-dioxide
- IUPAC
- N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamide
Names & synonyms
BRN 4761657130639-74-6Acetamide, N-(1,2,5,5a,6,9,9a,9b-octahydro-4-methyl-6,9-dioxonaphtho(2,1-b)thien-8-yl)-, S,S-dioxideRefChem:314889N-(4-methyl-3,3,6,9-tetraoxo-1,2,5,5a,9a,9b-hexahydrobenzo[e][1]benzothiol-8-yl)acetamideDTXSID10926843AKOS030489013N-(4-Methyl-3,3,6,9-tetraoxo-2,3,5,5a,6,9,9a,9b-octahydro-1H-3lambda~6~-naphtho[2,1-b]thiophen-8-yl)ethanimidic acidN-(4-methyl-3,3-dioxido-6,9-dioxo-1,2,5,5a,6,9,9a,9b-octahydronaphtho[2,1-b]thiophen-8-yl)acetamide
Database identifiers
- CAS
130639-74-6- PubChem CID
- 3076286
- DTXSID
DTXSID10926843
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 753
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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