N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid

C25H28N4O7S — CID 75409663

IUPACN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
SMILESCOc1ccc(/C(C)=N\Nc2ccc(C(=O)N/N=C(\C)c3ccc(OC)cc3)cc2)cc1.O=S(=O)(O)O
InChIInChI=1S/C25H26N4O3.H2O4S/c1-17(19-7-13-23(31-3)14-8-19)26-28-22-11-5-21(6-12-22)25(30)29-27-18(2)20-9-15-24(32-4)16-10-20;1-5(2,3)4/h5-16,28H,1-4H3,(H,29,30);(H2,1,2,3,4)/b26-17-,27-18+;
InChIKeyRCMDUWRAKBEUPO-NBXMBKIVSA-N
MW528.59 g/mol
LogP4.04
Rot. Bonds8

About N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid

N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid (PubChem CID 75409663) has the molecular formula C25H28N4O7S and a molecular weight of 528.59 g/mol. Its IUPAC name is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid.

Molecular Properties

Compound NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
PubChem CID75409663
Molecular FormulaC25H28N4O7S
Molecular Weight528.59 g/mol
Exact Mass528.17
IUPAC NameN-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
SMILESCOc1ccc(/C(C)=N\Nc2ccc(C(=O)N/N=C(\C)c3ccc(OC)cc3)cc2)cc1.O=S(=O)(O)O
InChIInChI=1S/C25H26N4O3.H2O4S/c1-17(19-7-13-23(31-3)14-8-19)26-28-22-11-5-21(6-12-22)25(30)29-27-18(2)20-9-15-24(32-4)16-10-20;1-5(2,3)4/h5-16,28H,1-4H3,(H,29,30);(H2,1,2,3,4)/b26-17-,27-18+;
InChIKeyRCMDUWRAKBEUPO-NBXMBKIVSA-N
XLogP4.04
TPSA158.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.59
LogP ≤ 54.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
CID 75409659
4-methoxy-N-[(E)-1-[4-[4-[(E)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]aniline
CID 146304253
4-bromo-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 6062256
4-benzamido-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 3289478
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-4-phenylbenzamide
CID 5496134
4-[(4-chlorobenzoyl)amino]-N-[1-(4-methoxyphenyl)ethylideneamino]benzamide
CID 4633062
4-[(Z)-N-(4-methoxyanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 121473240
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylideneamino]-4-methoxybenzamide
CID 3473892
N-[(Z)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]-4-methoxybenzamide
CID 9359355
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-[(2Z)-2-[1-(2-chlorophenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409654
4-[(Z)-N-(4-fluoroanilino)-C-methylcarbonimidoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 7950665
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid?
The IUPAC name of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid (CID 75409663) is N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid.
What is the SMILES notation for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid?
The canonical SMILES for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid is COc1ccc(/C(C)=N\Nc2ccc(C(=O)N/N=C(\C)c3ccc(OC)cc3)cc2)cc1.O=S(=O)(O)O.
What is the InChIKey of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid?
The InChIKey is RCMDUWRAKBEUPO-NBXMBKIVSA-N. The full InChI is InChI=1S/C25H26N4O3.H2O4S/c1-17(19-7-13-23(31-3)14-8-19)26-28-22-11-5-21(6-12-22)25(30)29-27-18(2)20-9-15-24(32-4)16-10-20;1-5(2,3)4/h5-16,28H,1-4H3,(H,29,30);(H2,1,2,3,4)/b26-17-,27-18+;.
What are the key properties of N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid?
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid has a molecular weight of 528.59 g/mol, XLogP of 4.04, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid is sourced from PubChem (CID 75409663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).