N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide

C17H19N3O4S — CID 43879630

IUPACN-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19N3O4S/c1-24-16-10-8-15(9-11-16)20(25(2,22)23)13-17(21)19-18-12-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,19,21)/b18-12+
InChIKeySJVWXPCNEFYFLC-LDADJPATSA-N
MW361.42 g/mol
LogP1.61
Rot. Bonds7

About N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide

N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 43879630) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID43879630
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC NameN-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H19N3O4S/c1-24-16-10-8-15(9-11-16)20(25(2,22)23)13-17(21)19-18-12-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,19,21)/b18-12+
InChIKeySJVWXPCNEFYFLC-LDADJPATSA-N
XLogP1.61
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.61
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

N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879653
2-(4-methoxy-N-methylsulfonylanilino)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 94838302
2-(N-methylsulfonylanilino)-N-[(E)-[4-[(E)-[[2-(N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 16761126
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 135951682
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 28589089
2-(4-methoxy-N-methylsulfonylanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
CID 43879651
N-[(Z)-(4-methylphenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 28588611
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 2250014
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126032264
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879637
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 28589083
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879635

Frequently Asked Questions

What is the IUPAC name of N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide (CID 43879630) is N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)N/N=C/c2ccccc2)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is SJVWXPCNEFYFLC-LDADJPATSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-24-16-10-8-15(9-11-16)20(25(2,22)23)13-17(21)19-18-12-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3,(H,19,21)/b18-12+.
What are the key properties of N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 43879630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).