2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide

C24H25N3O5S — CID 3895821

IUPAC2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2O)Cc2ccccc2)cc1C
InChIInChI=1S/C24H25N3O5S/c1-18-14-21(12-13-23(18)32-2)33(30,31)27(16-19-8-4-3-5-9-19)17-24(29)26-25-15-20-10-6-7-11-22(20)28/h3-15,28H,16-17H2,1-2H3,(H,26,29)
InChIKeyMSHMXKLXIUHTPH-UHFFFAOYSA-N
MW467.55 g/mol
LogP3.05
Rot. Bonds9

About 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide

2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 3895821) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID3895821
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2O)Cc2ccccc2)cc1C
InChIInChI=1S/C24H25N3O5S/c1-18-14-21(12-13-23(18)32-2)33(30,31)27(16-19-8-4-3-5-9-19)17-24(29)26-25-15-20-10-6-7-11-22(20)28/h3-15,28H,16-17H2,1-2H3,(H,26,29)
InChIKeyMSHMXKLXIUHTPH-UHFFFAOYSA-N
XLogP3.05
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-chlorophenyl)methylideneamino]acetamide
CID 3901932
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(pyridin-4-ylmethylideneamino)acetamide
CID 3988331
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-[(Z)-(5-bromo-2-methoxyphenyl)methylideneamino]acetamide
CID 98091448
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 126126793
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6884239
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136764592
2-[benzyl-(3,4-dimethoxyphenyl)sulfonylamino]-N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]acetamide
CID 98093625
2-[(4-chlorophenyl)sulfonyl-[(3-methylphenyl)methyl]amino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 137051503
2-[[[2-[benzyl-(2-methoxy-5-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 3985642
2-[(4-acetamidophenyl)sulfonyl-benzylamino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 3136727
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92512476
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 1263278

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide (CID 3895821) is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2ccccc2O)Cc2ccccc2)cc1C.
What is the InChIKey of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is MSHMXKLXIUHTPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O5S/c1-18-14-21(12-13-23(18)32-2)33(30,31)27(16-19-8-4-3-5-9-19)17-24(29)26-25-15-20-10-6-7-11-22(20)28/h3-15,28H,16-17H2,1-2H3,(H,26,29).
What are the key properties of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide?
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 467.55 g/mol, XLogP of 3.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 3895821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).