2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

C23H24N4O4S — CID 124550664

IUPAC2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)Cc1ccccc1
InChIInChI=1S/C23H24N4O4S/c1-18-11-12-21(31-2)22(14-18)32(29,30)27(16-19-8-4-3-5-9-19)17-23(28)26-25-15-20-10-6-7-13-24-20/h3-15H,16-17H2,1-2H3,(H,26,28)/b25-15+
InChIKeyFUXDAWQWMUZTPF-MFKUBSTISA-N
MW452.54 g/mol
LogP2.74
Rot. Bonds9

About 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 124550664) has the molecular formula C23H24N4O4S and a molecular weight of 452.54 g/mol. Its IUPAC name is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID124550664
Molecular FormulaC23H24N4O4S
Molecular Weight452.54 g/mol
Exact Mass452.15
IUPAC Name2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)Cc1ccccc1
InChIInChI=1S/C23H24N4O4S/c1-18-11-12-21(31-2)22(14-18)32(29,30)27(16-19-8-4-3-5-9-19)17-23(28)26-25-15-20-10-6-7-13-24-20/h3-15H,16-17H2,1-2H3,(H,26,28)/b25-15+
InChIKeyFUXDAWQWMUZTPF-MFKUBSTISA-N
XLogP2.74
TPSA100.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 52.74
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-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 126372103
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 126376173
2-[[[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 3985642
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(4-fluorophenyl)methylideneamino]acetamide
CID 124548267
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 126372602
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 126372784
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 3898762
N-benzyl-N-(2-hydrazinyl-2-oxoethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 3496872
2-[benzyl-(2,5-dimethoxyphenyl)sulfonylamino]-N-[(3-methoxyphenyl)methylideneamino]acetamide
CID 4563517
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3,4-dimethylphenyl)acetamide
CID 4537352
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(3-hydroxypropyl)acetamide
CID 3979664
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 4562030

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (CID 124550664) is 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is COc1ccc(C)cc1S(=O)(=O)N(CC(=O)N/N=C/c1ccccn1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is FUXDAWQWMUZTPF-MFKUBSTISA-N. The full InChI is InChI=1S/C23H24N4O4S/c1-18-11-12-21(31-2)22(14-18)32(29,30)27(16-19-8-4-3-5-9-19)17-23(28)26-25-15-20-10-6-7-13-24-20/h3-15H,16-17H2,1-2H3,(H,26,28)/b25-15+.
What are the key properties of 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 452.54 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 124550664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).