1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine

C24H16F4N2O2S2 — CID 4554241

IUPAC1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine
SMILESFC(F)Sc1ccc(-c2ccc(C=NN=Cc3ccc(-c4ccc(SC(F)F)cc4)o3)o2)cc1
InChIInChI=1S/C24H16F4N2O2S2/c25-23(26)33-19-7-1-15(2-8-19)21-11-5-17(31-21)13-29-30-14-18-6-12-22(32-18)16-3-9-20(10-4-16)34-24(27)28/h1-14,23-24H
InChIKeyUEGJJOJKIWHEDW-UHFFFAOYSA-N
MW504.53 g/mol
LogP8.29
Rot. Bonds9

About 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine

1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine (PubChem CID 4554241) has the molecular formula C24H16F4N2O2S2 and a molecular weight of 504.53 g/mol. Its IUPAC name is 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine.

Molecular Properties

Compound Name1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine
PubChem CID4554241
Molecular FormulaC24H16F4N2O2S2
Molecular Weight504.53 g/mol
Exact Mass504.06
IUPAC Name1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine
SMILESFC(F)Sc1ccc(-c2ccc(C=NN=Cc3ccc(-c4ccc(SC(F)F)cc4)o3)o2)cc1
InChIInChI=1S/C24H16F4N2O2S2/c25-23(26)33-19-7-1-15(2-8-19)21-11-5-17(31-21)13-29-30-14-18-6-12-22(32-18)16-3-9-20(10-4-16)34-24(27)28/h1-14,23-24H
InChIKeyUEGJJOJKIWHEDW-UHFFFAOYSA-N
XLogP8.29
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.53
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylidene]pentane-2,4-dione
CID 938814
(2Z)-2-[(E)-[5-(4-bromophenyl)furan-2-yl]methylidenehydrazinylidene]-5-[[4-(difluoromethylsulfanyl)phenyl]methyl]-1,3-thiazolidin-4-one
CID 135576455
diethyl 2-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylidene]propanedioate
CID 2311100
(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 2094524
(E)-3-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 6295337
5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
CID 117357259
(NE)-N-[[5-(4-propan-2-ylphenyl)furan-2-yl]methylidene]hydroxylamine
CID 19869736
5-(4-methylsulfanylphenyl)furan-2-carbaldehyde
CID 4674822
4-[5-[(Z)-(diaminomethylidenehydrazinylidene)methyl]furan-2-yl]benzoic acid
CID 6115254
(Z)-1-[5-(4-fluorophenyl)furan-2-yl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5395923
propan-2-yl 2-chloro-5-[5-[(E)-[(E)-[5-(4-chloro-3-propan-2-yloxycarbonylphenyl)furan-2-yl]methylidenehydrazinylidene]methyl]furan-2-yl]benzoate
CID 50885105
4-[5-[(E)-hydroxyiminomethyl]furan-2-yl]benzoic acid
CID 6890370

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine?
The IUPAC name of 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine (CID 4554241) is 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine.
What is the SMILES notation for 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine?
The canonical SMILES for 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine is FC(F)Sc1ccc(-c2ccc(C=NN=Cc3ccc(-c4ccc(SC(F)F)cc4)o3)o2)cc1.
What is the InChIKey of 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine?
The InChIKey is UEGJJOJKIWHEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2O2S2/c25-23(26)33-19-7-1-15(2-8-19)21-11-5-17(31-21)13-29-30-14-18-6-12-22(32-18)16-3-9-20(10-4-16)34-24(27)28/h1-14,23-24H.
What are the key properties of 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine?
1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine has a molecular weight of 504.53 g/mol, XLogP of 8.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]-N-[[5-[4-(difluoromethylsulfanyl)phenyl]furan-2-yl]methylideneamino]methanimine is sourced from PubChem (CID 4554241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).