5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one

C24H26F3N3O2S — CID 67966209

IUPAC5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one
SMILESC=C(NCCCc1ccc(C(F)(F)F)cc1)S/C(=C(\N)COC)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C24H26F3N3O2S/c1-15(29-11-3-4-16-5-8-19(9-6-16)24(25,26)27)33-23(20(28)14-32-2)17-7-10-21-18(12-17)13-22(31)30-21/h5-10,12,29H,1,3-4,11,13-14,28H2,2H3,(H,30,31)/b23-20-
InChIKeyCNAZOVPGLGGJNL-ATJXCDBQSA-N
MW477.55 g/mol
LogP4.90
Rot. Bonds10

About 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one

5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one (PubChem CID 67966209) has the molecular formula C24H26F3N3O2S and a molecular weight of 477.55 g/mol. Its IUPAC name is 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one
PubChem CID67966209
Molecular FormulaC24H26F3N3O2S
Molecular Weight477.55 g/mol
Exact Mass477.17
IUPAC Name5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one
SMILESC=C(NCCCc1ccc(C(F)(F)F)cc1)S/C(=C(\N)COC)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C24H26F3N3O2S/c1-15(29-11-3-4-16-5-8-19(9-6-16)24(25,26)27)33-23(20(28)14-32-2)17-7-10-21-18(12-17)13-22(31)30-21/h5-10,12,29H,1,3-4,11,13-14,28H2,2H3,(H,30,31)/b23-20-
InChIKeyCNAZOVPGLGGJNL-ATJXCDBQSA-N
XLogP4.90
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(2-oxo-1,3-dihydroindole-5-carbonyl)amino]acetate
CID 83724913
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393
2-(2-oxo-1,3-dihydroindol-5-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 110768191
5-[4-(3-hydroxybut-1-ynyl)-2-[3-[4-(trifluoromethyl)phenyl]propylamino]-1,3-thiazol-5-yl]-1,3-dihydroindol-2-one
CID 89344504
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-(5-methylsulfanylpentyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 104920104
N-[(4-methoxyphenyl)methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 11346996
6-methyl-N-[3-[4-(2-oxo-1,3-dihydroindol-5-yl)phenyl]propyl]pyridine-3-carboxamide
CID 138674590
N-(2-amino-2-oxoethoxy)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103901262
N-(2-methyl-2-methylsulfanylpropyl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103713488
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
N-[(2-methylpropan-2-yl)oxy]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103868642

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one (CID 67966209) is 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one is C=C(NCCCc1ccc(C(F)(F)F)cc1)S/C(=C(\N)COC)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one?
The InChIKey is CNAZOVPGLGGJNL-ATJXCDBQSA-N. The full InChI is InChI=1S/C24H26F3N3O2S/c1-15(29-11-3-4-16-5-8-19(9-6-16)24(25,26)27)33-23(20(28)14-32-2)17-7-10-21-18(12-17)13-22(31)30-21/h5-10,12,29H,1,3-4,11,13-14,28H2,2H3,(H,30,31)/b23-20-.
What are the key properties of 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one?
5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one has a molecular weight of 477.55 g/mol, XLogP of 4.90, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-amino-3-methoxy-1-[1-[3-[4-(trifluoromethyl)phenyl]propylamino]ethenylsulfanyl]prop-1-enyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 67966209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).