4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide

C17H19N3O3S — CID 126126939

IUPAC4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-13-4-6-14(7-5-13)12-18-19-17(21)15-8-10-16(11-9-15)20(2)24(3,22)23/h4-12H,1-3H3,(H,19,21)/b18-12-
InChIKeyUVVARTRJMPZCGI-PDGQHHTCSA-N
MW345.42 g/mol
LogP2.15
Rot. Bonds5

About 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide

4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide (PubChem CID 126126939) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
PubChem CID126126939
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide
SMILESCc1ccc(/C=N\NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C17H19N3O3S/c1-13-4-6-14(7-5-13)12-18-19-17(21)15-8-10-16(11-9-15)20(2)24(3,22)23/h4-12H,1-3H3,(H,19,21)/b18-12-
InChIKeyUVVARTRJMPZCGI-PDGQHHTCSA-N
XLogP2.15
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.15
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-fluorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126122035
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126150848
N-[(Z)-(4-bromophenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126146513
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124875
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 43879524
N-[(Z)-(4-fluorophenyl)methylideneamino]-4-methylbenzamide
CID 5405739
4-hydroxy-N-[(4-methylphenyl)methylideneamino]benzamide
CID 789070
N-[(Z)-(4-chlorophenyl)methylideneamino]-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 126033722
4-[methyl(methylsulfonyl)amino]-N-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]benzamide
CID 126117645
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126128178
4-methyl-N-[(4-methylsulfanylphenyl)methylideneamino]benzamide
CID 913551
4-[methyl(methylsulfonyl)amino]-N-(propan-2-ylideneamino)benzamide
CID 126149953

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide (CID 126126939) is 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide is Cc1ccc(/C=N\NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is UVVARTRJMPZCGI-PDGQHHTCSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-13-4-6-14(7-5-13)12-18-19-17(21)15-8-10-16(11-9-15)20(2)24(3,22)23/h4-12H,1-3H3,(H,19,21)/b18-12-.
What are the key properties of 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide?
4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide has a molecular weight of 345.42 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(methylsulfonyl)amino]-N-[(Z)-(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 126126939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).