N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide

C17H16ClN3O2S — CID 19660391

IUPACN-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
SMILESCSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-11-3-6-13(9-15(11)18)20-16(22)17(23)21-19-10-12-4-7-14(24-2)8-5-12/h3-10H,1-2H3,(H,20,22)(H,21,23)/b19-10+
InChIKeyWLLKBJOBUCZSOP-VXLYETTFSA-N
MW361.85 g/mol
LogP3.46
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide

N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide (PubChem CID 19660391) has the molecular formula C17H16ClN3O2S and a molecular weight of 361.85 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
PubChem CID19660391
Molecular FormulaC17H16ClN3O2S
Molecular Weight361.85 g/mol
Exact Mass361.07
IUPAC NameN-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide
SMILESCSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C17H16ClN3O2S/c1-11-3-6-13(9-15(11)18)20-16(22)17(23)21-19-10-12-4-7-14(24-2)8-5-12/h3-10H,1-2H3,(H,20,22)(H,21,23)/b19-10+
InChIKeyWLLKBJOBUCZSOP-VXLYETTFSA-N
XLogP3.46
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.85
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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-(3-chloro-4-methylphenyl)-N'-[[4-(diethylamino)phenyl]methylideneamino]oxamide
CID 3477063
2-[4-[(Z)-[[2-(3-chloro-4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989723
N-(3-chloro-4-methylphenyl)-N'-[(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 4596393
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]oxamide
CID 135813949
N-(3-chloro-4-methylphenyl)-N'-[(Z)-[4-[2-(3,4-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126160178
N-(3,4-dichlorophenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 2063705
N-(3-chloro-4-methylphenyl)-N'-[(3-methoxyphenyl)methylideneamino]oxamide
CID 4060161
N-(3-chloro-4-methylphenyl)-N'-[(Z)-(2-hydroxyphenyl)methylideneamino]oxamide
CID 136909047
N-(3-chloro-4-methylphenyl)-N'-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]oxamide
CID 19659605
N-(3-chloro-4-methylphenyl)-N'-[(Z)-[4-[2-(4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126164081
ethyl 4-[[2-[(2E)-2-[(4-methylsulfanylphenyl)methylidene]hydrazinyl]-2-oxoacetyl]amino]benzoate
CID 5346349
N'-[(Z)-[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-ethylphenyl)oxamide
CID 126181768

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide (CID 19660391) is N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide is CSc1ccc(/C=N/NC(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide?
The InChIKey is WLLKBJOBUCZSOP-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16ClN3O2S/c1-11-3-6-13(9-15(11)18)20-16(22)17(23)21-19-10-12-4-7-14(24-2)8-5-12/h3-10H,1-2H3,(H,20,22)(H,21,23)/b19-10+.
What are the key properties of N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide?
N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide has a molecular weight of 361.85 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-N'-[(E)-(4-methylsulfanylphenyl)methylideneamino]oxamide is sourced from PubChem (CID 19660391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).