N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

C23H20Cl3N3O4S — CID 126031327

IUPACN-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl3N3O4S/c1-34(31,32)29(22-12-19(25)7-10-21(22)26)14-23(30)28-27-13-16-5-8-20(9-6-16)33-15-17-3-2-4-18(24)11-17/h2-13H,14-15H2,1H3,(H,28,30)/b27-13-
InChIKeyGVFFDDWATMUPAB-WKIKZPBSSA-N
MW540.86 g/mol
LogP5.14
Rot. Bonds9

About N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 126031327) has the molecular formula C23H20Cl3N3O4S and a molecular weight of 540.86 g/mol. Its IUPAC name is N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID126031327
Molecular FormulaC23H20Cl3N3O4S
Molecular Weight540.86 g/mol
Exact Mass539.02
IUPAC NameN-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H20Cl3N3O4S/c1-34(31,32)29(22-12-19(25)7-10-21(22)26)14-23(30)28-27-13-16-5-8-20(9-6-16)33-15-17-3-2-4-18(24)11-17/h2-13H,14-15H2,1H3,(H,28,30)/b27-13-
InChIKeyGVFFDDWATMUPAB-WKIKZPBSSA-N
XLogP5.14
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.86
LogP ≤ 55.14
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-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126034228
N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126033666
2-(2-chloro-N-methylsulfonylanilino)-N-[(Z)-[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]acetamide
CID 92660771
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 126034348
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126153493
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[(Z)-[4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126189581
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126031332
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92511280
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126192277
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126118709
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126035479
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126143655

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (CID 126031327) is N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)N/N=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is GVFFDDWATMUPAB-WKIKZPBSSA-N. The full InChI is InChI=1S/C23H20Cl3N3O4S/c1-34(31,32)29(22-12-19(25)7-10-21(22)26)14-23(30)28-27-13-16-5-8-20(9-6-16)33-15-17-3-2-4-18(24)11-17/h2-13H,14-15H2,1H3,(H,28,30)/b27-13-.
What are the key properties of N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 540.86 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126031327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).