2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid
Basic information
- CAS
66895-91-8- Standard SMILES
Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)O)cc1- InChIKey
NLUNKKRKOJXXNM-UHFFFAOYSA-N- Molecular formula
- C17H19NO4S
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.10347926
Names & identifiers
- Preferred name
- 2-{[(4-Methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid
- IUPAC
- 2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetic acid
Names & synonyms
66895-91-8CHEMBL2010979ST50998517Oprea1_506767Oprea1_828514SCHEMBL22469193DTXSID20353424BDBM50484941AKOS000297250DB-159231EU-0009225SR-01000472815
Show more names
SR-01000472815-1N-[(4-methylphenyl)sulfonyl]-N-(2-phenylethyl)glycineN-(4-Methylbenzene-1-sulfonyl)-N-(2-phenylethyl)glycine2-{[(4-methylphenyl)sulfonyl](2-phenylethyl)amino}acetic acid
Database identifiers
- CAS
66895-91-8- PubChem CID
- 740569
- DTXSID
DTXSID20353424- ChEMBL
CHEMBL2010979- Nikkaji
- J873.792D
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 471
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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