2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

C23H23N3O4S — CID 43878820

IUPAC2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23N3O4S/c1-30-20-14-12-18(13-15-20)16-24-25-23(27)21-10-6-7-11-22(21)26(31(2,28)29)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeyJFFPIXHIRGLFHJ-LFVJCYFKSA-N
MW437.52 g/mol
LogP3.43
Rot. Bonds8

About 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 43878820) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
PubChem CID43878820
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC Name2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23N3O4S/c1-30-20-14-12-18(13-15-20)16-24-25-23(27)21-10-6-7-11-22(21)26(31(2,28)29)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeyJFFPIXHIRGLFHJ-LFVJCYFKSA-N
XLogP3.43
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(4-methylphenyl)methylideneamino]benzamide
CID 43878959
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(3-chlorophenyl)methylideneamino]benzamide
CID 43878970
2-[benzyl(methylsulfonyl)amino]-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 5076592
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-[(4-chlorophenyl)methylideneamino]benzamide
CID 3518058
2-[benzenesulfonyl(benzyl)amino]-N-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]benzamide
CID 137162618
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]benzamide
CID 28588966
2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
4-[(3,4-dimethyl-N-methylsulfonylanilino)methyl]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 43878724
4-[(2,3-dichloro-N-methylsulfonylanilino)methyl]-N-[(Z)-(3-methoxyphenyl)methylideneamino]benzamide
CID 92644401
N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879630
4-[benzyl(methylsulfonyl)amino]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 135951620
2-[benzyl(methylsulfonyl)amino]-N-(3,4-dimethoxyphenyl)benzamide
CID 1107755

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (CID 43878820) is 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is JFFPIXHIRGLFHJ-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-30-20-14-12-18(13-15-20)16-24-25-23(27)21-10-6-7-11-22(21)26(31(2,28)29)17-19-8-4-3-5-9-19/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+.
What are the key properties of 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 437.52 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methylsulfonyl)amino]-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 43878820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).