Molecules/2-{2-[[(4-methoxy-2,6-dimethylphenyl)sulphonyl]-(methyl)amino]ethoxy}-N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
2-{2-[[(4-methoxy-2,6-dimethylphenyl)sulphonyl]-(methyl)amino]ethoxy}-N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
Molecular Identity
2-{2-[[(4-methoxy-2,6-dimethylphenyl)sulphonyl]-(methyl)amino]ethoxy}-N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
PubChem CID: 42602622
2D Structure
Properties
C26H44N4O5S
Molecular Formula
524.70
Molecular Weight
g/mol
524.3032
Exact Mass
Da
2.3
XLogP
Drug-like (Lipinski: < 5)
91
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
787
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC(=CC(=C1S(=O)(=O)N(C)CCOCC(=O)N(C)C2CCCC(C2)N3CCN(CC3)C)C)OCIsomeric SMILES
SMILES: CC1=CC(=CC(=C1S(=O)(=O)N(C)CCOCC(=O)N(C)[C@H]2CCC[C@H](C2)N3CCN(CC3)C)C)OCSynonyms(10)
BI 113823BI-1138231119282-90-42-{2-[[(4-methoxy-2,6-dimethylphenyl)sulphonyl]-(methyl)amino]ethoxy}-N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamideorb2944986CHEMBL5315550SCHEMBL10044350BUIJBFHGUQJYSD-XZOQPEGZSA-NHY-168906T205108
Data from PubChem (NCBI)
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Molecular Structure
2-{2-[[(4-methoxy-2,6-dimethylphenyl)sulphonyl]-(methyl)amino]ethoxy}-N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
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Drug Network
Trials and conditions connected to 2-{2-[[(4-methoxy-2,6-dimethylphenyl)sulphonyl]-(methyl)amino]ethoxy}-N-methyl-N-[(1S,3R)-3-(4-methylpiperazin-1-yl)cyclohexyl]acetamide
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