2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide

C17H17ClN2O2S — CID 5426403

IUPAC2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
SMILESCSc1ccc(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-12-9-14(5-8-16(12)18)22-11-17(21)20-19-10-13-3-6-15(23-2)7-4-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyPDUVMQNIBWATCY-GRSHGNNSSA-N
MW348.86 g/mol
LogP3.90
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide

2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide (PubChem CID 5426403) has the molecular formula C17H17ClN2O2S and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
PubChem CID5426403
Molecular FormulaC17H17ClN2O2S
Molecular Weight348.86 g/mol
Exact Mass348.07
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
SMILESCSc1ccc(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1
InChIInChI=1S/C17H17ClN2O2S/c1-12-9-14(5-8-16(12)18)22-11-17(21)20-19-10-13-3-6-15(23-2)7-4-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-
InChIKeyPDUVMQNIBWATCY-GRSHGNNSSA-N
XLogP3.90
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.90
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

2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 39819572
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(4-chloro-3-methylphenoxy)acetamide
CID 9316748
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 9316720
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]-2-(4-propan-2-ylphenoxy)acetamide
CID 5420731
2-(6-bromonaphthalen-2-yl)oxy-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 164664824
2-(4-chloro-3-methylphenoxy)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135412104
2-(2-chlorophenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426500
2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
2-(4-chloro-3-methylphenoxy)-N-[(Z)-[4-[2-cyanoethyl(methyl)amino]phenyl]methylideneamino]acetamide
CID 9256927
2-(4-chloro-3,5-dimethylphenoxy)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 19189648
N-[(4-methylsulfanylphenyl)methylideneamino]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 4246520

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide (CID 5426403) is 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide is CSc1ccc(/C=N\NC(=O)COc2ccc(Cl)c(C)c2)cc1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
The InChIKey is PDUVMQNIBWATCY-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H17ClN2O2S/c1-12-9-14(5-8-16(12)18)22-11-17(21)20-19-10-13-3-6-15(23-2)7-4-13/h3-10H,11H2,1-2H3,(H,20,21)/b19-10-.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide?
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide has a molecular weight of 348.86 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5426403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).