2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide

C17H18ClN3O2S — CID 134042793

IUPAC2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)O/N=C(\N)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2S/c1-11(17(22)20-14-8-3-4-9-15(14)24-2)23-21-16(19)12-6-5-7-13(18)10-12/h3-11H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyNLBOVKJYKBKERM-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.73
Rot. Bonds6

About 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide

2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide (PubChem CID 134042793) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide
PubChem CID134042793
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide
SMILESCSc1ccccc1NC(=O)C(C)O/N=C(\N)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClN3O2S/c1-11(17(22)20-14-8-3-4-9-15(14)24-2)23-21-16(19)12-6-5-7-13(18)10-12/h3-11H,1-2H3,(H2,19,21)(H,20,22)
InChIKeyNLBOVKJYKBKERM-UHFFFAOYSA-N
XLogP3.73
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-propan-2-ylphenyl)propanamide
CID 55435620
2-[(E)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(4-methylsulfanylphenyl)propanamide
CID 78841430
2-[[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2,6-dimethylphenyl)propanamide
CID 76854416
2-(3-chlorophenoxy)-N-(2-methylsulfanylphenyl)butanamide
CID 43915885
(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
CID 2478819
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 21173368
2-[(Z)-N'-hydroxycarbamimidoyl]-3-methyl-N-(2-methylsulfanylphenyl)butanamide
CID 107645748
(2R)-2-(3-chlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 848384
2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 2943952
(2S)-2-(3-chlorophenoxy)-N-(2-cyanophenyl)propanamide
CID 894651
(2S)-2-(3-chlorophenoxy)-N-(2-chlorophenyl)propanamide
CID 966242
(2R)-2-(2-cyanophenoxy)-N-(2-methylsulfanylphenyl)propanamide
CID 2505724

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide?
The IUPAC name of 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide (CID 134042793) is 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide.
What is the SMILES notation for 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide?
The canonical SMILES for 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide is CSc1ccccc1NC(=O)C(C)O/N=C(\N)c1cccc(Cl)c1.
What is the InChIKey of 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide?
The InChIKey is NLBOVKJYKBKERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c1-11(17(22)20-14-8-3-4-9-15(14)24-2)23-21-16(19)12-6-5-7-13(18)10-12/h3-11H,1-2H3,(H2,19,21)(H,20,22).
What are the key properties of 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide?
2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide has a molecular weight of 363.87 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-(3-chlorophenyl)methylidene]amino]oxy-N-(2-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 134042793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).