2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide

C14H14N2O2S — CID 5412695

IUPAC2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide
SMILESCSc1ccc(/C=N\NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C14H14N2O2S/c1-10-13(7-8-18-10)14(17)16-15-9-11-3-5-12(19-2)6-4-11/h3-9H,1-2H3,(H,16,17)/b15-9-
InChIKeyVHDAXWPDJLMZLL-DHDCSXOGSA-N
MW274.35 g/mol
LogP3.07
Rot. Bonds4

About 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide

2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide (PubChem CID 5412695) has the molecular formula C14H14N2O2S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide
PubChem CID5412695
Molecular FormulaC14H14N2O2S
Molecular Weight274.35 g/mol
Exact Mass274.08
IUPAC Name2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide
SMILESCSc1ccc(/C=N\NC(=O)c2ccoc2C)cc1
InChIInChI=1S/C14H14N2O2S/c1-10-13(7-8-18-10)14(17)16-15-9-11-3-5-12(19-2)6-4-11/h3-9H,1-2H3,(H,16,17)/b15-9-
InChIKeyVHDAXWPDJLMZLL-DHDCSXOGSA-N
XLogP3.07
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 135781724
N-[(3-bromo-4-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 872797
N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136672376
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
[4-[[(2-methylfuran-3-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 5240816
N-[(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 870863
N-[(E)-(3-chlorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5340130
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053
N-[(Z)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 136851848
N-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 761682
N-[(E)-(5-fluorothiophen-2-yl)methylideneamino]-2-methylfuran-3-carboxamide
CID 110211053
3,4-dimethyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 841000

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide?
The IUPAC name of 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide (CID 5412695) is 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide?
The canonical SMILES for 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide is CSc1ccc(/C=N\NC(=O)c2ccoc2C)cc1.
What is the InChIKey of 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide?
The InChIKey is VHDAXWPDJLMZLL-DHDCSXOGSA-N. The full InChI is InChI=1S/C14H14N2O2S/c1-10-13(7-8-18-10)14(17)16-15-9-11-3-5-12(19-2)6-4-11/h3-9H,1-2H3,(H,16,17)/b15-9-.
What are the key properties of 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide?
2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]furan-3-carboxamide is sourced from PubChem (CID 5412695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).