methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate

C24H19FN2O5S — CID 42624809

IUPACmethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(=O)c1cn(Cc2ccc(F)cc2)c2cccc(OC)c12
InChIInChI=1S/C24H19FN2O5S/c1-31-19-5-3-4-18-20(19)16(13-27(18)12-14-6-8-15(25)9-7-14)21(28)23(29)26-17-10-11-33-22(17)24(30)32-2/h3-11,13H,12H2,1-2H3,(H,26,29)
InChIKeyFAFGUQZFTLJVMK-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.51
Rot. Bonds7

About methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate (PubChem CID 42624809) has the molecular formula C24H19FN2O5S and a molecular weight of 466.49 g/mol. Its IUPAC name is methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate
PubChem CID42624809
Molecular FormulaC24H19FN2O5S
Molecular Weight466.49 g/mol
Exact Mass466.10
IUPAC Namemethyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)C(=O)c1cn(Cc2ccc(F)cc2)c2cccc(OC)c12
InChIInChI=1S/C24H19FN2O5S/c1-31-19-5-3-4-18-20(19)16(13-27(18)12-14-6-8-15(25)9-7-14)21(28)23(29)26-17-10-11-33-22(17)24(30)32-2/h3-11,13H,12H2,1-2H3,(H,26,29)
InChIKeyFAFGUQZFTLJVMK-UHFFFAOYSA-N
XLogP4.51
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate with MolForge

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Related Compounds

1-benzyl-4-methoxyindole-3-carboxylic acid
CID 23073203
methyl 3-[[2-[(4-fluorophenyl)methoxy]benzoyl]amino]thiophene-2-carboxylate
CID 26704872
N-(2,6-dichlorophenyl)-2-[1-[(4-fluorophenyl)methyl]-5-methoxyindol-3-yl]-2-oxoacetamide
CID 110167918
[1-[(4-chlorophenyl)methyl]-3-[2-oxo-2-[(5-oxo-2H-furan-3-yl)amino]acetyl]indol-4-yl] acetate
CID 23514019
1-[(4-fluorophenyl)methyl]-4-phenylmethoxyindole-3-carboxylic acid
CID 21079394
methyl 3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]thiophene-2-carboxylate
CID 114610707
methyl 3-[[1-[(4-chlorophenyl)methyl]-6-oxopyridine-3-carbonyl]amino]thiophene-2-carboxylate
CID 1482953
methyl 3-[(2-chloro-4-fluorobenzoyl)amino]thiophene-2-carboxylate
CID 6470591
N-(4-bromophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 46227998
ethyl 5-methoxy-4-oxo-1-[(4-phenylphenyl)methyl]quinoline-3-carboxylate
CID 71734506
(Z)-4-[1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-methoxyindol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 71592548
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate (CID 42624809) is methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)C(=O)c1cn(Cc2ccc(F)cc2)c2cccc(OC)c12.
What is the InChIKey of methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate?
The InChIKey is FAFGUQZFTLJVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O5S/c1-31-19-5-3-4-18-20(19)16(13-27(18)12-14-6-8-15(25)9-7-14)21(28)23(29)26-17-10-11-33-22(17)24(30)32-2/h3-11,13H,12H2,1-2H3,(H,26,29).
What are the key properties of methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate has a molecular weight of 466.49 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[1-[(4-fluorophenyl)methyl]-4-methoxyindol-3-yl]-2-oxoacetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 42624809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).