Text Search
Structure Search

N-(2,6-dimethylphenyl)-2-[(5E)-5-{[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

N-(2,6-dimethylphenyl)-2-[(5E)-5-{[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

Formula: C25H24N2O5S

SMILES: CCOC1=CC(C=C2SC(=O)N(CC(=O)NC3=C(C)C=CC=C3C)C2=O)=CC=C1OCC#C

IUPAC: N-(2,6-dimethylphenyl)-2-[(5E)-5-{[3-ethoxy-4-(prop-2-yn-1-yloxy)phenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide

InChI: InChI=1S/C25H24N2O5S/c1-5-12-32-19-11-10-18(13-20(19)31-6-2)14-21-24(29)27(25(30)33-21)15-22(28)26-23-16(3)8-7-9-17(23)4/h1,7-11,13-14H,6,12,15H2,2-4H3,(H,26,28)/b21-14+

Composition: C (64.64%), H (5.21%), N (6.03%), O (17.22%), S (6.90%)

Molar Mass: 464.54

Atom Count: 57

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 464.140593055
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey CLLWLANOCFZHAN-KGENOOAVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 130.82
Topological Polar Surface Area 84.94
Polarizability 48.6
Ring Count 3
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H24N2O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote