Basic information
- CAS
63884-79-7- Standard SMILES
CCOC(=O)NCCS(=O)(=O)Cc1ccc(NC(C)=O)cc1- InChIKey
KDZCXNJPDQGLOW-UHFFFAOYSA-N- Molecular formula
- C14H20N2O5S
- Average molar mass
- 328.39 g/mol
- Monoisotopic mass
- 328.10929292
Names & identifiers
- Preferred name
- Carbamic acid, N-(p-acetamidobenzylsulfonyl)ethyl-, ethyl ester
- IUPAC
- ethyl N-[2-[(4-acetamidophenyl)methylsulfonyl]ethyl]carbamate
- English name
- N-(p-Acetylaminobenzylsulfonyl)-N-ethylcarbamic acid ethyl ester
- Molecular formula
- C14H20N2O5S
- Molecular weight
- 328.39
Names & synonyms
N-(p-Acetylaminobenzenesulfonyl)ethylurethane63884-79-7CARBAMIC ACID, N-(p-ACETAMIDOBENZYLSULFONYL)ETHYL-, ETHYL ESTERDTXSID20213418RefChem:332679DTXCID20135909Ethyl {2-[(4-acetamidophenyl)methanesulfonyl]ethyl}carbamateN-(p-Acetylaminobenzylsulfonyl)-N-ethylcarbamic acid ethyl esterCarbamic acid, [2-[[[4-(acetylamino)phenyl]methyl]sulfonyl]ethyl]-, ethyl ester (9CI)
Database identifiers
- CAS
63884-79-7- PubChem CID
- 44966
- DTXSID
DTXSID20213418
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 464
Physicochemical properties
- Boiling point
- 639.496 · 639.496±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.289 · 1.289±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.617 · 11.617±0.46(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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