N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid

C31H28N4O5S — CID 75409659

IUPACN-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
SMILESC/C(=N/NC(=O)c1ccc(N/N=C(/C)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1.O=S(=O)(O)O
InChIInChI=1S/C31H26N4O.H2O4S/c1-21(26-13-11-23-7-3-5-9-28(23)19-26)32-34-30-17-15-25(16-18-30)31(36)35-33-22(2)27-14-12-24-8-4-6-10-29(24)20-27;1-5(2,3)4/h3-20,34H,1-2H3,(H,35,36);(H2,1,2,3,4)/b32-21-,33-22-;
InChIKeyXHEOEZCOOHFTEJ-SPOIIMDXSA-N
MW568.66 g/mol
LogP6.33
Rot. Bonds6

About N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid

N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid (PubChem CID 75409659) has the molecular formula C31H28N4O5S and a molecular weight of 568.66 g/mol. Its IUPAC name is N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid.

Molecular Properties

Compound NameN-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
PubChem CID75409659
Molecular FormulaC31H28N4O5S
Molecular Weight568.66 g/mol
Exact Mass568.18
IUPAC NameN-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid
SMILESC/C(=N/NC(=O)c1ccc(N/N=C(/C)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1.O=S(=O)(O)O
InChIInChI=1S/C31H26N4O.H2O4S/c1-21(26-13-11-23-7-3-5-9-28(23)19-26)32-34-30-17-15-25(16-18-30)31(36)35-33-22(2)27-14-12-24-8-4-6-10-29(24)20-27;1-5(2,3)4/h3-20,34H,1-2H3,(H,35,36);(H2,1,2,3,4)/b32-21-,33-22-;
InChIKeyXHEOEZCOOHFTEJ-SPOIIMDXSA-N
XLogP6.33
TPSA140.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.66
LogP ≤ 56.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_naphth_A(5)', 'substructure': 'N/A'}, {'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-[(E)-1-(4-methoxyphenyl)ethylideneamino]-4-[(2Z)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409663
4-bromo-N-(1-naphthalen-2-ylethylideneamino)benzamide
CID 4299606
N-[(Z)-1-(2-chlorophenyl)ethylideneamino]-4-[(2Z)-2-[1-(2-chlorophenyl)ethylidene]hydrazinyl]benzamide;sulfuric acid
CID 75409654
N-[1-(3-hydroxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 139767693
N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]naphthalene-2-carboxamide
CID 124908769
3-hydroxy-N-(1-naphthalen-2-ylethylideneamino)naphthalene-2-carboxamide
CID 4655754
2-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-4-carboxamide
CID 174219694
6-methyl-N-(1-naphthalen-2-ylethylideneamino)pyridine-2-carboxamide
CID 174219685
N-[(E)-1-naphthalen-2-ylethylideneamino]furan-2-carboxamide
CID 7460942
2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
CID 5378627
N-(1-naphthalen-2-ylethylideneamino)methanesulfonamide
CID 867251
4-chloro-N-[2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]-2-oxoethyl]benzamide
CID 6063456

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid?
The IUPAC name of N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid (CID 75409659) is N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid.
What is the SMILES notation for N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid?
The canonical SMILES for N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid is C/C(=N/NC(=O)c1ccc(N/N=C(/C)c2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1.O=S(=O)(O)O.
What is the InChIKey of N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid?
The InChIKey is XHEOEZCOOHFTEJ-SPOIIMDXSA-N. The full InChI is InChI=1S/C31H26N4O.H2O4S/c1-21(26-13-11-23-7-3-5-9-28(23)19-26)32-34-30-17-15-25(16-18-30)31(36)35-33-22(2)27-14-12-24-8-4-6-10-29(24)20-27;1-5(2,3)4/h3-20,34H,1-2H3,(H,35,36);(H2,1,2,3,4)/b32-21-,33-22-;.
What are the key properties of N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid?
N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid has a molecular weight of 568.66 g/mol, XLogP of 6.33, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-naphthalen-2-ylethylideneamino]-4-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzamide;sulfuric acid is sourced from PubChem (CID 75409659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).