N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide

C24H24ClN3O6S — CID 6871646

IUPACN-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H24ClN3O6S/c1-32-19-10-8-18(9-11-19)28(16-24(29)27-26-15-17-6-4-5-7-21(17)25)35(30,31)20-12-13-22(33-2)23(14-20)34-3/h4-15H,16H2,1-3H3,(H,27,29)/b26-15+
InChIKeyDIMJAEHWWJWSOB-CVKSISIWSA-N
MW517.99 g/mol
LogP3.71
Rot. Bonds10

About N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide

N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide (PubChem CID 6871646) has the molecular formula C24H24ClN3O6S and a molecular weight of 517.99 g/mol. Its IUPAC name is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
PubChem CID6871646
Molecular FormulaC24H24ClN3O6S
Molecular Weight517.99 g/mol
Exact Mass517.11
IUPAC NameN-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C24H24ClN3O6S/c1-32-19-10-8-18(9-11-19)28(16-24(29)27-26-15-17-6-4-5-7-21(17)25)35(30,31)20-12-13-22(33-2)23(14-20)34-3/h4-15H,16H2,1-3H3,(H,27,29)/b26-15+
InChIKeyDIMJAEHWWJWSOB-CVKSISIWSA-N
XLogP3.71
TPSA106.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.99
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-[(2,4-dichlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
CID 3936018
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 126152599
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126030854
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381
N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide
CID 99681502
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)-N-[(Z)-(2-fluorophenyl)methylideneamino]acetamide
CID 126146123
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 28589089
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6896418
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126033558
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 2250542
2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135699605
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 27876509

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide?
The IUPAC name of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide (CID 6871646) is N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide.
What is the SMILES notation for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide?
The canonical SMILES for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide is COc1ccc(N(CC(=O)N/N=C/c2ccccc2Cl)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide?
The InChIKey is DIMJAEHWWJWSOB-CVKSISIWSA-N. The full InChI is InChI=1S/C24H24ClN3O6S/c1-32-19-10-8-18(9-11-19)28(16-24(29)27-26-15-17-6-4-5-7-21(17)25)35(30,31)20-12-13-22(33-2)23(14-20)34-3/h4-15H,16H2,1-3H3,(H,27,29)/b26-15+.
What are the key properties of N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide?
N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide has a molecular weight of 517.99 g/mol, XLogP of 3.71, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chlorophenyl)methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methoxyanilino)acetamide is sourced from PubChem (CID 6871646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).