ethyl 2-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzoate
Basic information
- CAS
6166-44-5- Standard SMILES
CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OCC)cc1- InChIKey
KFSUFQQBYUQDRI-UHFFFAOYSA-N- Molecular formula
- C26H28N2O6S
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.16680779
Names & identifiers
- Preferred name
- ethyl 2-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzoate
- IUPAC
- ethyl 2-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzoate
Names & synonyms
6166-44-5ZINC1219158ethyl 2-{[N-[(4-ethoxyphenyl)sulfonyl]-N-(4-methylphenyl)glycyl]amino}benzoateZINC01219158CBMicro_002204ethyl 2-[[2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]benzoateOprea1_738438DTXSID30362365SMSF0016074MFCD02217844STL139468AKOS000385899
Show more names
CB03741BIM-0002024.P001ZINC000001219158ethyl2((N((4ethoxyphenyl)sulfonyl)N(4methylphenyl)glycyl)amino)benzoateCCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=CC=CC=C2C(=O)OCC)C3=CC=C(C=C3)CEthyl 2-{[N-(4-ethoxybenzene-1-sulfonyl)-N-(4-methylphenyl)glycyl]amino}benzoateETHYL2((2(N(4ETHOXYPHENYL)SULFONYL4METHYLANILINO)ACETYL)AMINO)BENZOATE
Database identifiers
- CAS
6166-44-5- PubChem CID
- 1372129
- DTXSID
DTXSID30362365
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 782
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…