2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

C21H20N4O5S — CID 135646681

IUPAC2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1O
InChIInChI=1S/C21H20N4O5S/c1-30-18-11-7-8-16(21(18)27)14-23-24-20(26)15-25(19-12-5-6-13-22-19)31(28,29)17-9-3-2-4-10-17/h2-14,27H,15H2,1H3,(H,24,26)/b23-14+
InChIKeyGGOWPHGXFKZNLB-OEAKJJBVSA-N
MW440.48 g/mol
LogP2.14
Rot. Bonds8

About 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide

2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (PubChem CID 135646681) has the molecular formula C21H20N4O5S and a molecular weight of 440.48 g/mol. Its IUPAC name is 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
PubChem CID135646681
Molecular FormulaC21H20N4O5S
Molecular Weight440.48 g/mol
Exact Mass440.12
IUPAC Name2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
SMILESCOc1cccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1O
InChIInChI=1S/C21H20N4O5S/c1-30-18-11-7-8-16(21(18)27)14-23-24-20(26)15-25(19-12-5-6-13-22-19)31(28,29)17-9-3-2-4-10-17/h2-14,27H,15H2,1H3,(H,24,26)/b23-14+
InChIKeyGGOWPHGXFKZNLB-OEAKJJBVSA-N
XLogP2.14
TPSA121.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137044665
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135951633
N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 3618389
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126191405
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137150847
2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135951666
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-methyl-N-(4-methylsulfanylphenyl)sulfonylanilino)acetamide
CID 137077902
2-(2-bromo-N-methylsulfonylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135890915
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 25162948
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 46501195
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136764592
2-(3,4-dimethyl-N-methylsulfonylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137107833

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide (CID 135646681) is 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is COc1cccc(/C=N/NC(=O)CN(c2ccccn2)S(=O)(=O)c2ccccc2)c1O.
What is the InChIKey of 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
The InChIKey is GGOWPHGXFKZNLB-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H20N4O5S/c1-30-18-11-7-8-16(21(18)27)14-23-24-20(26)15-25(19-12-5-6-13-22-19)31(28,29)17-9-3-2-4-10-17/h2-14,27H,15H2,1H3,(H,24,26)/b23-14+.
What are the key properties of 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide?
2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide has a molecular weight of 440.48 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(pyridin-2-yl)amino]-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135646681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).