2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide

C24H25N3O5S — CID 6884239

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)Cc2ccccc2)cc1
InChIInChI=1S/C24H25N3O5S/c1-31-21-12-14-22(15-13-21)33(29,30)27(17-19-8-4-3-5-9-19)18-24(28)26-25-16-20-10-6-7-11-23(20)32-2/h3-16H,17-18H2,1-2H3,(H,26,28)/b25-16+
InChIKeyMHRRHKBWWSZJLZ-PCLIKHOPSA-N
MW467.55 g/mol
LogP3.05
Rot. Bonds10

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide (PubChem CID 6884239) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
PubChem CID6884239
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)Cc2ccccc2)cc1
InChIInChI=1S/C24H25N3O5S/c1-31-21-12-14-22(15-13-21)33(29,30)27(17-19-8-4-3-5-9-19)18-24(28)26-25-16-20-10-6-7-11-23(20)32-2/h3-16H,17-18H2,1-2H3,(H,26,28)/b25-16+
InChIKeyMHRRHKBWWSZJLZ-PCLIKHOPSA-N
XLogP3.05
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.05
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

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6033568
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 94847336
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 126192310
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 126017078
2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methylideneamino]acetamide
CID 3750829
2-[(3-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 126067134
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 94846825
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 98091448
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 3136727
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136764592
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]acetamide
CID 6375088
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3895821

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide (CID 6884239) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccccc2OC)Cc2ccccc2)cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is MHRRHKBWWSZJLZ-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-31-21-12-14-22(15-13-21)33(29,30)27(17-19-8-4-3-5-9-19)18-24(28)26-25-16-20-10-6-7-11-23(20)32-2/h3-16H,17-18H2,1-2H3,(H,26,28)/b25-16+.
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 467.55 g/mol, XLogP of 3.05, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6884239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).