Basic information
- CAS
1020721-62-3- Standard SMILES
CCc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1- InChIKey
VHPGHLVFQSUUBF-UHFFFAOYSA-N- Molecular formula
- C22H27N3O4S
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.17222752
Names & identifiers
- Preferred name
- 2-[(4-Ethyl-phenylcarbamoyl)-methanesulfinyl]-N-(4-morpholin-4-yl-phenyl)-acetamide
- IUPAC
- N-(4-ethylphenyl)-2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfinylacetamide
Names & synonyms
MLS001229751SMR0006071812-[(4-Ethyl-phenylcarbamoyl)-methanesulfinyl]-N-(4-morpholin-4-yl-phenyl)-acetamideCHEMBL1537421BDBM83009cid_24792575DTXSID701122905HMS2911N06AKOS0007892611020721-62-3ST50571149SR-01000355624
Show more names
SR-01000355624-12-[2-(4-Ethylanilino)-2-oxoethanesulfinyl]-N-[4-(morpholin-4-yl)phenyl]acetamide2-{[(4-ethylphenyl)carbamoyl]methanesulfinyl}-N-[4-(morpholin-4-yl)phenyl]acetamideAcetamide, 2-[[2-[(4-ethylphenyl)amino]-2-oxoethyl]sulfinyl]-N-[4-(4-morpholinyl)phenyl]-N-(4-ethylphenyl)-2-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfinylacetamideN-(4-ethylphenyl)-2-[2-[4-(4-morpholinyl)anilino]-2-oxoethyl]sulfinylacetamideN-(4-ethylphenyl)-2-[2-keto-2-(4-morpholinoanilino)ethyl]sulfinyl-acetamideN-(4-ethylphenyl)-2-[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl]sulfinyl-ethanamide
Database identifiers
- CAS
1020721-62-3- PubChem CID
- 24792575
- DTXSID
DTXSID701122905- ChEMBL
CHEMBL1537421
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 581
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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