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

C23H23N3O5S — CID 5334747

IUPAC2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O5S/c1-30-20-12-8-18(9-13-20)16-24-25-23(27)17-26(19-10-14-21(31-2)15-11-19)32(28,29)22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeyUOSITHFJMUAPBQ-LFVJCYFKSA-N
MW453.52 g/mol
LogP3.05
Rot. Bonds9

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

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (PubChem CID 5334747) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
PubChem CID5334747
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23N3O5S/c1-30-20-12-8-18(9-13-20)16-24-25-23(27)17-26(19-10-14-21(31-2)15-11-19)32(28,29)22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+
InChIKeyUOSITHFJMUAPBQ-LFVJCYFKSA-N
XLogP3.05
TPSA97.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
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'}

Analyze 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide (CID 5334747) is 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is COc1ccc(/C=N/NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is UOSITHFJMUAPBQ-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H23N3O5S/c1-30-20-12-8-18(9-13-20)16-24-25-23(27)17-26(19-10-14-21(31-2)15-11-19)32(28,29)22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,25,27)/b24-16+.
What are the key properties of 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide?
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 453.52 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 5334747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).