Mufemilast
N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide
Molecular Identity
Mufemilast
N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamide
PubChem CID: 137355584
2D Structure
Properties
C20H22N2O7S2
Molecular Formula
466.50
Molecular Weight
g/mol
466.0868
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
156
TPSA
May have limited oral absorption
1
H-Bond Donors
8
H-Bond Acceptors
813
Complexity
SMILES
Canonical SMILES
SMILES: CCOC1=C(C=CC(=C1)C(CS(=O)(=O)C)N2C(=O)C3=CSC(=C3C2=O)NC(=O)C)OCIsomeric SMILES
SMILES: CCOC1=C(C=CC(=C1)[C@@H](CS(=O)(=O)C)N2C(=O)C3=CSC(=C3C2=O)NC(=O)C)OCSynonyms(20)
MufemilastHEMAY0051255909-03-54QX9BK9E7PHEMAY-005RefChem:159992Mufemilast [INN]UNII-4QX9BK9E7P(S)-N-(5-(1-(3-Ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-4,6-dioxo-5,6-dihydro-4H-thieno[3,4-c]pyrrol-1-yl)acetamideAcetamide, N-(5-((1S)-1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl)-5,6-dihydro-4,6-dioxo-4H-thieno(3,4-C)pyrrol-1-yl)-N-[5-[(1S)-1-(3-ethoxy-4-methoxyphenyl)-2-methylsulfonylethyl]-4,6-dioxothieno[3,4-c]pyrrol-3-yl]acetamideMomishin (China)Mufemilast [WHO-DD]orb1687054CHEMBL5095240
Data from PubChem (NCBI)
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