Sitaxentan
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
Molecular Identity
Sitaxentan
N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
PubChem CID: 216235
Sitaxentan is a member of benzodioxoles.
2D Structure
Properties
C18H15ClN2O6S2
Molecular Formula
454.90
Molecular Weight
g/mol
454.0060
Exact Mass
Da
3.7
XLogP
Drug-like (Lipinski: < 5)
144
TPSA
May have limited oral absorption
1
H-Bond Donors
9
H-Bond Acceptors
720
Complexity
SMILES
Canonical SMILES
SMILES: CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2Isomeric SMILES
SMILES: CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2Synonyms(20)
SitaxsentanSitaxentan184036-34-8TBC-11251TBC11251N-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamideTBC 11251DTXSID0057673IPI 1040IPI-1040J9QH779MEMDTXCID1031462N-(4-Chloro-3-methyl-5-isoxazolyl)-2-((4,5-(methylenedioxy)-o-toly)acetyl)-3-thiophenesulfonamideN-(4-chloro-3-methyl-5-isoxazolyl)-2-(3,4-(methylenedioxy)-6-methyl)phenylacetyl-3-thiophenesulfonamideN-(4-chloro-3-methyl-1,2-oxazol-5-yl)-2-[2-(6-methyl-2H-1,3-benzodioxol-5-yl)acetyl]thiophene-3-sulfonamide
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sitaxentan
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