N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

C23H21Cl2N3O4S — CID 28589358

IUPACN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)N/N=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H21Cl2N3O4S/c1-16-7-11-19(12-8-16)33(30,31)28(21-5-3-4-6-22(21)32-2)15-23(29)27-26-14-17-9-10-18(24)13-20(17)25/h3-14H,15H2,1-2H3,(H,27,29)/b26-14-
InChIKeyXDYUKDQZBZWDRA-WGARJPEWSA-N
MW506.41 g/mol
LogP4.66
Rot. Bonds8

About N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 28589358) has the molecular formula C23H21Cl2N3O4S and a molecular weight of 506.41 g/mol. Its IUPAC name is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID28589358
Molecular FormulaC23H21Cl2N3O4S
Molecular Weight506.41 g/mol
Exact Mass505.06
IUPAC NameN-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCOc1ccccc1N(CC(=O)N/N=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H21Cl2N3O4S/c1-16-7-11-19(12-8-16)33(30,31)28(21-5-3-4-6-22(21)32-2)15-23(29)27-26-14-17-9-10-18(24)13-20(17)25/h3-14H,15H2,1-2H3,(H,27,29)/b26-14-
InChIKeyXDYUKDQZBZWDRA-WGARJPEWSA-N
XLogP4.66
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.41
LogP ≤ 54.66
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-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588796
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 92644335
N-[(Z)-[1-(2,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126033932
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
CID 126191320
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]acetamide
CID 99674396
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 126136958
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 126141325
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 92644228
2-(2-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 124534881
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 137150847
N-[(2,4-dichlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
CID 3936018

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 28589358) is N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is COc1ccccc1N(CC(=O)N/N=C\c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is XDYUKDQZBZWDRA-WGARJPEWSA-N. The full InChI is InChI=1S/C23H21Cl2N3O4S/c1-16-7-11-19(12-8-16)33(30,31)28(21-5-3-4-6-22(21)32-2)15-23(29)27-26-14-17-9-10-18(24)13-20(17)25/h3-14H,15H2,1-2H3,(H,27,29)/b26-14-.
What are the key properties of N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 506.41 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 28589358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).