N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide

C20H18N2O2S2 — CID 139073898

IUPACN-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=C(SCc1ccccc1)SCc1ccccc1)c1ccco1
InChIInChI=1S/C20H18N2O2S2/c23-19(18-12-7-13-24-18)21-22-20(25-14-16-8-3-1-4-9-16)26-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,21,23)
InChIKeyFHIMXQSWIATLDD-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.15
Rot. Bonds6

About N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide

N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide (PubChem CID 139073898) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide.

Molecular Properties

Compound NameN-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide
PubChem CID139073898
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC NameN-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide
SMILESO=C(NN=C(SCc1ccccc1)SCc1ccccc1)c1ccco1
InChIInChI=1S/C20H18N2O2S2/c23-19(18-12-7-13-24-18)21-22-20(25-14-16-8-3-1-4-9-16)26-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,21,23)
InChIKeyFHIMXQSWIATLDD-UHFFFAOYSA-N
XLogP5.15
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1-(4-phenylphenyl)ethylideneamino]furan-2-carboxamide
CID 9615835
N'-benzoyl-2-furohydrazide
CID 687074
Furan-2-carboxylic acid N'-(3-phenyl-acryloyl)-hydrazide
CID 809418
(E)-N'-(4-(benzyloxy)benzylidene)furan-2-carbohydrazide
CID 6880344
N'-(3-phenylpropanoyl)furan-2-carbohydrazide
CID 774124
N'-{(1Z)-[2-(benzyloxy)phenyl]methylene}-2-furohydrazide
CID 5909752
Cinnamaldehyde, 2-furylcarbonylhydrazone
CID 9602394
2-Furancarboxylic acid, 2-(phenylmethyl)hydrazide, hydrochloride (1:1)
CID 3058473
N-[(E)-[(5E)-5-(benzoylhydrazinylidene)pentylidene]amino]furan-2-carboxamide
CID 145991566
N'-(diphenylmethylene)-2-furohydrazide
CID 789518
2-Furancarboxylic acid, 2-(2-(4-(phenylmethoxy)phenoxy)acetyl)hydrazide
CID 561942
(E)-N'-(4-(methylthio)benzylidene)furan-2-carbohydrazide
CID 6879884

Frequently Asked Questions

What is the IUPAC name of N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide?
The IUPAC name of N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide (CID 139073898) is N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide.
What is the SMILES notation for N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide?
The canonical SMILES for N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide is O=C(NN=C(SCc1ccccc1)SCc1ccccc1)c1ccco1.
What is the InChIKey of N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide?
The InChIKey is FHIMXQSWIATLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c23-19(18-12-7-13-24-18)21-22-20(25-14-16-8-3-1-4-9-16)26-15-17-10-5-2-6-11-17/h1-13H,14-15H2,(H,21,23).
What are the key properties of N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide?
N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(benzylsulfanyl)methylideneamino]furan-2-carboxamide is sourced from PubChem (CID 139073898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).