4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide

C19H15ClN2O2S — CID 126196378

IUPAC4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
SMILESCc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H15ClN2O2S/c1-13-2-9-17(10-3-13)25-18-11-8-16(24-18)12-21-22-19(23)14-4-6-15(20)7-5-14/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyLGNVGXIUXAYCLL-MTJSOVHGSA-N
MW370.86 g/mol
LogP5.16
Rot. Bonds5

About 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide

4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide (PubChem CID 126196378) has the molecular formula C19H15ClN2O2S and a molecular weight of 370.86 g/mol. Its IUPAC name is 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
PubChem CID126196378
Molecular FormulaC19H15ClN2O2S
Molecular Weight370.86 g/mol
Exact Mass370.05
IUPAC Name4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
SMILESCc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)cc1
InChIInChI=1S/C19H15ClN2O2S/c1-13-2-9-17(10-3-13)25-18-11-8-16(24-18)12-21-22-19(23)14-4-6-15(20)7-5-14/h2-12H,1H3,(H,22,23)/b21-12-
InChIKeyLGNVGXIUXAYCLL-MTJSOVHGSA-N
XLogP5.16
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.86
LogP ≤ 55.16
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

3-chloro-N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]benzamide
CID 3797622
N-[[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-3-hydroxy-4-iodobenzamide
CID 74017319
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-4-(2,5-diphenylpyrrol-1-yl)benzamide
CID 126192668
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-methylbenzamide
CID 6872153
N-[(Z)-(5-phenylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 94845215
4-chloro-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6870894
1-methyl-3-[(E)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]thiourea
CID 6176056
N-[(Z)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-morpholin-4-ylacetamide
CID 126193221
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 126193694
4-chloro-N-[(Z)-(4-phenylsulfanylphenyl)methylideneamino]benzamide
CID 126197594
N-[(E)-[5-(4-chlorophenyl)sulfanylfuran-2-yl]methylideneamino]-2-(2-iodophenoxy)acetamide
CID 126194323
4-amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]benzamide
CID 18283704

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide?
The IUPAC name of 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide (CID 126196378) is 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide.
What is the SMILES notation for 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide?
The canonical SMILES for 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide is Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)cc1.
What is the InChIKey of 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide?
The InChIKey is LGNVGXIUXAYCLL-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H15ClN2O2S/c1-13-2-9-17(10-3-13)25-18-11-8-16(24-18)12-21-22-19(23)14-4-6-15(20)7-5-14/h2-12H,1H3,(H,22,23)/b21-12-.
What are the key properties of 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide?
4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide has a molecular weight of 370.86 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(Z)-[5-(4-methylphenyl)sulfanylfuran-2-yl]methylideneamino]benzamide is sourced from PubChem (CID 126196378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).