N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide

C18H23N3O2S — CID 126002850

IUPACN-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CCSc2ccccc2)o1
InChIInChI=1S/C18H23N3O2S/c1-3-21(4-2)18-11-10-15(23-18)14-19-20-17(22)12-13-24-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,22)/b19-14-
InChIKeyLREGROIBMRGDDH-RGEXLXHISA-N
MW345.47 g/mol
LogP3.76
Rot. Bonds9

About N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide

N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide (PubChem CID 126002850) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide
PubChem CID126002850
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide
SMILESCCN(CC)c1ccc(/C=N\NC(=O)CCSc2ccccc2)o1
InChIInChI=1S/C18H23N3O2S/c1-3-21(4-2)18-11-10-15(23-18)14-19-20-17(22)12-13-24-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,22)/b19-14-
InChIKeyLREGROIBMRGDDH-RGEXLXHISA-N
XLogP3.76
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_furan_A(15)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 762054
(4R)-N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-4-(4-ethoxyphenyl)-4-hydroxybutanamide
CID 96874005
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]thiophene-2-carboxamide
CID 5426374
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 126003005
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]-2-phenylsulfanylacetamide
CID 100801815
N-[(Z)-(3-bromophenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 6005980
N-[(3,4-dimethoxyphenyl)methylideneamino]-3-phenylsulfanylpropanamide
CID 5047472
N-[(E)-benzylideneamino]butanamide
CID 6872028
2-[(Z)-[3-(4-methylphenyl)sulfanylpropanoylhydrazinylidene]methyl]benzoic acid
CID 126147425
2-phenyl-N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 126006396
N-[(E)-(5-methylfuran-2-yl)methylideneamino]-4-phenylbutanamide
CID 171979033
3-(4-methylphenyl)sulfanyl-N-(pyridin-4-ylmethylideneamino)propanamide
CID 2531077

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide (CID 126002850) is N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide is CCN(CC)c1ccc(/C=N\NC(=O)CCSc2ccccc2)o1.
What is the InChIKey of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide?
The InChIKey is LREGROIBMRGDDH-RGEXLXHISA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-3-21(4-2)18-11-10-15(23-18)14-19-20-17(22)12-13-24-16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,22)/b19-14-.
What are the key properties of N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide?
N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide has a molecular weight of 345.47 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[5-(diethylamino)furan-2-yl]methylideneamino]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 126002850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).