4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide

C24H25N3O5S — CID 4562303

IUPAC4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H25N3O5S/c1-17(19-12-15-22(31-3)23(16-19)32-4)25-26-24(28)18-10-13-20(14-11-18)27(2)33(29,30)21-8-6-5-7-9-21/h5-16H,1-4H3,(H,26,28)
InChIKeyMIQYIUCVWOPHMX-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.68
Rot. Bonds8

About 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide

4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide (PubChem CID 4562303) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
PubChem CID4562303
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
SMILESCOc1ccc(C(C)=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC
InChIInChI=1S/C24H25N3O5S/c1-17(19-12-15-22(31-3)23(16-19)32-4)25-26-24(28)18-10-13-20(14-11-18)27(2)33(29,30)21-8-6-5-7-9-21/h5-16H,1-4H3,(H,26,28)
InChIKeyMIQYIUCVWOPHMX-UHFFFAOYSA-N
XLogP3.68
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-[[methyl-(4-methylphenyl)sulfonylamino]methyl]benzamide
CID 3274106
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
4-[[N-(benzenesulfonyl)-3-chloro-2-methylanilino]methyl]-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 98093167
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
N-[(Z)-1-(3,4-dimethoxyphenyl)propylideneamino]-4-[methyl(methylsulfonyl)amino]benzamide
CID 126143054
N-[(Z)-1-(3-iodophenyl)ethylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124709
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)acetamide
CID 126124265
2-[N-(benzenesulfonyl)-2-methylanilino]-N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 27088718
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 21212195
4-(dimethylamino)-N-[(E)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 135685330
3,4,5-trimethoxy-N-[(E)-1-(4-phenylphenyl)ethylideneamino]benzamide
CID 6005452
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657

Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide (CID 4562303) is 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide is COc1ccc(C(C)=NNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide?
The InChIKey is MIQYIUCVWOPHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-17(19-12-15-22(31-3)23(16-19)32-4)25-26-24(28)18-10-13-20(14-11-18)27(2)33(29,30)21-8-6-5-7-9-21/h5-16H,1-4H3,(H,26,28).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide?
4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide has a molecular weight of 467.55 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 4562303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).