2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide

C24H25N3O6S — CID 6896096

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O6S/c1-31-20-13-10-19(11-14-20)27(34(29,30)22-7-5-4-6-8-22)17-24(28)26-25-16-18-9-12-21(32-2)15-23(18)33-3/h4-16H,17H2,1-3H3,(H,26,28)/b25-16+
InChIKeyZIQBGXNJPVRJKF-PCLIKHOPSA-N
MW483.55 g/mol
LogP3.06
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide (PubChem CID 6896096) has the molecular formula C24H25N3O6S and a molecular weight of 483.55 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
PubChem CID6896096
Molecular FormulaC24H25N3O6S
Molecular Weight483.55 g/mol
Exact Mass483.15
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H25N3O6S/c1-31-20-13-10-19(11-14-20)27(34(29,30)22-7-5-4-6-8-22)17-24(28)26-25-16-18-9-12-21(32-2)15-23(18)33-3/h4-16H,17H2,1-3H3,(H,26,28)/b25-16+
InChIKeyZIQBGXNJPVRJKF-PCLIKHOPSA-N
XLogP3.06
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.55
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide (CID 6896096) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide is COc1ccc(N(CC(=O)N/N=C/c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
The InChIKey is ZIQBGXNJPVRJKF-PCLIKHOPSA-N. The full InChI is InChI=1S/C24H25N3O6S/c1-31-20-13-10-19(11-14-20)27(34(29,30)22-7-5-4-6-8-22)17-24(28)26-25-16-18-9-12-21(32-2)15-23(18)33-3/h4-16H,17H2,1-3H3,(H,26,28)/b25-16+.
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide has a molecular weight of 483.55 g/mol, XLogP of 3.06, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 6896096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).