N-[2-(Diethylamino)Ethyl]-4-[(Methylsulfonyl)Amino]-Benzamide
[CAS 101526-83-4]

Identification

• Name: N-[2-(Diethylamino)Ethyl]-4-[(Methylsulfonyl)Amino]-Benzamide
• Synonyms: N-(2-Diethylaminoethyl)-4-(Methylsulfonylamino)Benzamide; N-(2-(Diethylamino)Ethyl)-4-(Methylsulfonamido)Benzamide; N-(DIETHYLAMINOETHYL)-4-METHYLSULFOAMINOBENZAMIDE
• Molecular Formula: C₁₄H₂₃N₃O₃S
• Molecular Weight: 313.42
• CAS Registry Number: 101526-83-4
• SMILES: CCN(CCNC(=O)c1ccc(cc1)NS(=O)(=O)C)CC
• InChI: 1S/C14H23N3O3S/c1-4-17(5-2)11-10-15-14(18)12-6-8-13(9-7-12)16-21(3,19)20/h6-9,16H,4-5,10-11H2,1-3H3,(H,15,18)

References

• (1): Franco Lombardo, R. Scott Obach, Marina Y. Shalaeva, and Feng Gao. Prediction of Human Volume of Distribution Values for Neutral and Basic Drugs. 2. Extended Data Set and Leave-Class-Out Statistics, J. Med. Chem., 2004, 47(5), 1242-1250