N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide

C18H19Cl2N3O3S — CID 126034906

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19Cl2N3O3S/c1-3-13-4-8-16(9-5-13)23(27(2,25)26)12-18(24)22-21-11-14-6-7-15(19)10-17(14)20/h4-11H,3,12H2,1-2H3,(H,22,24)/b21-11-
InChIKeyNJFUBRYMKRHMIV-NHDPSOOVSA-N
MW428.34 g/mol
LogP3.47
Rot. Bonds7

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (PubChem CID 126034906) has the molecular formula C18H19Cl2N3O3S and a molecular weight of 428.34 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
PubChem CID126034906
Molecular FormulaC18H19Cl2N3O3S
Molecular Weight428.34 g/mol
Exact Mass427.05
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
SMILESCCc1ccc(N(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1
InChIInChI=1S/C18H19Cl2N3O3S/c1-3-13-4-8-16(9-5-13)23(27(2,25)26)12-18(24)22-21-11-14-6-7-15(19)10-17(14)20/h4-11H,3,12H2,1-2H3,(H,22,24)/b21-11-
InChIKeyNJFUBRYMKRHMIV-NHDPSOOVSA-N
XLogP3.47
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-(2,4-dichlorophenyl)methylideneamino]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 6896579
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 126030514
N-[(Z)-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 126030718
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 28589089
2-(4-ethyl-N-methylsulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126034252
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 126032877
N-(4-bromo-3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 21372395
N-[3-(4-chlorophenyl)propyl]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 30242378
N-(3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 113154183
N-[(2,4-dichlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
CID 3936018
N-[(Z)-[4-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 126032323
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 28589083

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide (CID 126034906) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide is CCc1ccc(N(CC(=O)N/N=C\c2ccc(Cl)cc2Cl)S(C)(=O)=O)cc1.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
The InChIKey is NJFUBRYMKRHMIV-NHDPSOOVSA-N. The full InChI is InChI=1S/C18H19Cl2N3O3S/c1-3-13-4-8-16(9-5-13)23(27(2,25)26)12-18(24)22-21-11-14-6-7-15(19)10-17(14)20/h4-11H,3,12H2,1-2H3,(H,22,24)/b21-11-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide has a molecular weight of 428.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(4-ethyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126034906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).