N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide

C19H19N3O2S — CID 6895307

IUPACN-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1
InChIInChI=1S/C19H19N3O2S/c1-2-3-9-17(23)22-21-13-15-10-11-18(24-15)25-16-8-4-6-14-7-5-12-20-19(14)16/h4-8,10-13H,2-3,9H2,1H3,(H,22,23)/b21-13+
InChIKeyBQMMFQNZGGFSSF-FYJGNVAPSA-N
MW353.45 g/mol
LogP4.62
Rot. Bonds7

About N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide

N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide (PubChem CID 6895307) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide
PubChem CID6895307
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1
InChIInChI=1S/C19H19N3O2S/c1-2-3-9-17(23)22-21-13-15-10-11-18(24-15)25-16-8-4-6-14-7-5-12-20-19(14)16/h4-8,10-13H,2-3,9H2,1H3,(H,22,23)/b21-13+
InChIKeyBQMMFQNZGGFSSF-FYJGNVAPSA-N
XLogP4.62
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(4-chlorophenyl)methylsulfanyl]-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 2223074
2-[(4-chlorophenyl)methylsulfanyl]-N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 5344847
[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]thiourea
CID 3119183
4-methoxy-N-[(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 1247126
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-quinolin-8-yloxyacetamide
CID 126191266
N-[(Z)-pyridin-4-ylmethylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 5405310
N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]octanamide
CID 6020464
N-[(E)-(4-bromophenyl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 6882442
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 1240020
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-quinolin-8-ylsulfanylacetamide
CID 136863963
N-quinolin-8-ylundecanamide
CID 3567928
2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 1040366

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide?
The IUPAC name of N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide (CID 6895307) is N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide?
The canonical SMILES for N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide is CCCCC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1.
What is the InChIKey of N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide?
The InChIKey is BQMMFQNZGGFSSF-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-2-3-9-17(23)22-21-13-15-10-11-18(24-15)25-16-8-4-6-14-7-5-12-20-19(14)16/h4-8,10-13H,2-3,9H2,1H3,(H,22,23)/b21-13+.
What are the key properties of N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide?
N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide has a molecular weight of 353.45 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(5-quinolin-8-ylsulfanylfuran-2-yl)methylideneamino]pentanamide is sourced from PubChem (CID 6895307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).