2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide

C26H20FN3O2S — CID 28985214

IUPAC2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccsc1N=Cc1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C26H20FN3O2S/c27-23-9-3-1-6-18(23)16-30-17-19(21-8-2-4-10-24(21)30)14-29-26-22(11-13-33-26)25(31)28-15-20-7-5-12-32-20/h1-14,17H,15-16H2,(H,28,31)
InChIKeyTTYCYGSCLYVTLT-UHFFFAOYSA-N
MW457.53 g/mol
LogP6.16
Rot. Bonds7

About 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide

2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide (PubChem CID 28985214) has the molecular formula C26H20FN3O2S and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide
PubChem CID28985214
Molecular FormulaC26H20FN3O2S
Molecular Weight457.53 g/mol
Exact Mass457.13
IUPAC Name2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide
SMILESO=C(NCc1ccco1)c1ccsc1N=Cc1cn(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C26H20FN3O2S/c27-23-9-3-1-6-18(23)16-30-17-19(21-8-2-4-10-24(21)30)14-29-26-22(11-13-33-26)25(31)28-15-20-7-5-12-32-20/h1-14,17H,15-16H2,(H,28,31)
InChIKeyTTYCYGSCLYVTLT-UHFFFAOYSA-N
XLogP6.16
TPSA59.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-Furan-2-ylmethyl-2-(3-propionyl-indol-1-yl)-acetamide
CID 955329
Acetamide, N-furan-2-ylmethyl-2-[3-(2,2,2-trifluoroacetyl)indol-1-yl]-
CID 2930335
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid (furan-2-ylmethyl)-amide
CID 644788
3-(1-Benzyl-1H-indol-3-yl)-2-cyano-N-furan-2-ylmethyl-acrylamide
CID 1073560
N-(4-methoxyphenyl)-2-[3-(thiophen-2-ylcarbonyl)-1H-indol-1-yl]acetamide
CID 1088994
(E)-2-cyano-3-[1-[2-(2-fluorophenoxy)ethyl]indol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 1132167
2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1243722
N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
CID 2156387
N-(furan-2-ylmethyl)-2-phenyl-2-[pyridin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3216731
N-{2-[3-({2-[(2-furylmethyl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}-4-methoxybenzamide
CID 3243605
{1-[2-(4-fluorophenoxy)ethyl]-1H-indol-3-yl}(thiophen-2-yl)methanone
CID 3619432

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide?
The IUPAC name of 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide (CID 28985214) is 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide is O=C(NCc1ccco1)c1ccsc1N=Cc1cn(Cc2ccccc2F)c2ccccc12.
What is the InChIKey of 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide?
The InChIKey is TTYCYGSCLYVTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2S/c27-23-9-3-1-6-18(23)16-30-17-19(21-8-2-4-10-24(21)30)14-29-26-22(11-13-33-26)25(31)28-15-20-7-5-12-32-20/h1-14,17H,15-16H2,(H,28,31).
What are the key properties of 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide?
2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylideneamino]-N-(furan-2-ylmethyl)thiophene-3-carboxamide is sourced from PubChem (CID 28985214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).