N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide

C26H25N3O4S — CID 94849903

IUPACN-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
SMILESCCS(=O)(=O)N(CC(=O)N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C26H25N3O4S/c1-3-34(31,32)29(21-12-14-22(33-2)15-13-21)18-26(30)28-27-17-25-23-10-6-4-8-19(23)16-20-9-5-7-11-24(20)25/h4-17H,3,18H2,1-2H3,(H,28,30)/b27-17-
InChIKeyWEHDURBSIDFPQW-PKAZHMFMSA-N
MW475.57 g/mol
LogP4.31
Rot. Bonds8

About N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide

N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide (PubChem CID 94849903) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
PubChem CID94849903
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC NameN-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide
SMILESCCS(=O)(=O)N(CC(=O)N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(OC)cc1
InChIInChI=1S/C26H25N3O4S/c1-3-34(31,32)29(21-12-14-22(33-2)15-13-21)18-26(30)28-27-17-25-23-10-6-4-8-19(23)16-20-9-5-7-11-24(20)25/h4-17H,3,18H2,1-2H3,(H,28,30)/b27-17-
InChIKeyWEHDURBSIDFPQW-PKAZHMFMSA-N
XLogP4.31
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 54.31
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-anthracen-9-ylmethylideneamino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 43882345
N-[(E)-benzylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43879630
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 135951682
N-(anthracen-9-ylmethylideneamino)-2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3610498
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 28589089
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 2250542
N-(anthracen-9-ylmethylideneamino)-2-(2,6-dibromo-4-methoxyphenoxy)acetamide
CID 4540848
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6896418
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-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide?
The IUPAC name of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide (CID 94849903) is N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide.
What is the SMILES notation for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide?
The canonical SMILES for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide is CCS(=O)(=O)N(CC(=O)N/N=C\c1c2ccccc2cc2ccccc12)c1ccc(OC)cc1.
What is the InChIKey of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide?
The InChIKey is WEHDURBSIDFPQW-PKAZHMFMSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-3-34(31,32)29(21-12-14-22(33-2)15-13-21)18-26(30)28-27-17-25-23-10-6-4-8-19(23)16-20-9-5-7-11-24(20)25/h4-17H,3,18H2,1-2H3,(H,28,30)/b27-17-.
What are the key properties of N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide?
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide has a molecular weight of 475.57 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-anthracen-9-ylmethylideneamino]-2-(N-ethylsulfonyl-4-methoxyanilino)acetamide is sourced from PubChem (CID 94849903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).