N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

C23H23N3O4S — CID 28588611

IUPACN-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCc1ccc(/C=N\NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23N3O4S/c1-18-8-10-19(11-9-18)16-24-25-23(27)17-26(31(2,28)29)20-12-14-22(15-13-20)30-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,25,27)/b24-16-
InChIKeyQKRGKQRXBHPTJC-JLPGSUDCSA-N
MW437.52 g/mol
LogP3.70
Rot. Bonds8

About N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide

N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (PubChem CID 28588611) has the molecular formula C23H23N3O4S and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
PubChem CID28588611
Molecular FormulaC23H23N3O4S
Molecular Weight437.52 g/mol
Exact Mass437.14
IUPAC NameN-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
SMILESCc1ccc(/C=N\NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23N3O4S/c1-18-8-10-19(11-9-18)16-24-25-23(27)17-26(31(2,28)29)20-12-14-22(15-13-20)30-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,25,27)/b24-16-
InChIKeyQKRGKQRXBHPTJC-JLPGSUDCSA-N
XLogP3.70
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(N-methylsulfonylanilino)-N-[(E)-[4-[(E)-[[2-(N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 16761126
N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879630
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43879128
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 43879146
N-[(Z)-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 98060097
2-(4-methyl-N-methylsulfonylanilino)-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 6876872
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 6896579
N-[(Z)-(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 92661088
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-(4-phenoxyphenyl)methylideneamino]acetamide
CID 126130077
N-[(Z)-[2,5-dimethyl-1-(3-methylphenyl)pyrrol-3-yl]methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 98060064
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879653
2-(3-bromo-N-methylsulfonylanilino)-N-[(Z)-(4-methylphenyl)methylideneamino]acetamide
CID 28589140

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The IUPAC name of N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide (CID 28588611) is N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide.
What is the SMILES notation for N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The canonical SMILES for N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is Cc1ccc(/C=N\NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
The InChIKey is QKRGKQRXBHPTJC-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H23N3O4S/c1-18-8-10-19(11-9-18)16-24-25-23(27)17-26(31(2,28)29)20-12-14-22(15-13-20)30-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,25,27)/b24-16-.
What are the key properties of N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide?
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide is sourced from PubChem (CID 28588611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).