N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide

C24H27N3O3S — CID 110516650

IUPACN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccc(N(CC)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O3S/c1-3-27(19-21-8-6-5-7-9-21)22-12-10-20(11-13-22)18-25-26-31(28,29)24-16-14-23(15-17-24)30-4-2/h5-18,26H,3-4,19H2,1-2H3/b25-18+
InChIKeyBNZOSFINCOIMDH-XIEYBQDHSA-N
MW437.57 g/mol
LogP4.42
Rot. Bonds10

About N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide

N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide (PubChem CID 110516650) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide
PubChem CID110516650
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC NameN-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)N/N=C/c2ccc(N(CC)Cc3ccccc3)cc2)cc1
InChIInChI=1S/C24H27N3O3S/c1-3-27(19-21-8-6-5-7-9-21)22-12-10-20(11-13-22)18-25-26-31(28,29)24-16-14-23(15-17-24)30-4-2/h5-18,26H,3-4,19H2,1-2H3/b25-18+
InChIKeyBNZOSFINCOIMDH-XIEYBQDHSA-N
XLogP4.42
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.42
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

N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-bromobenzenesulfonamide
CID 4237783
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]benzenesulfonamide
CID 5335146
4-ethoxy-N-[(4-fluorophenyl)methylideneamino]benzenesulfonamide
CID 2643152
N-[(4-chlorophenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 2643147
4-ethoxy-N-[[4-[2-hydroxyethyl(methyl)amino]phenyl]methylideneamino]benzenesulfonamide
CID 3376258
4-ethoxy-N-[(E)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516725
N-[(Z)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-2-phenylacetamide
CID 110515251
N-benzyl-4-[(benzylhydrazinylidene)methyl]-N-ethylaniline
CID 110839639
methyl N-[[4-[benzyl(ethyl)amino]phenyl]methylideneamino]carbamate
CID 2361352
4-ethoxy-N-[(E)-(3-hydroxyphenyl)methylideneamino]benzenesulfonamide
CID 6910172
4-ethoxy-N-[(2-ethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2643189
N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzenesulfonamide
CID 3660828

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide?
The IUPAC name of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide (CID 110516650) is N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)N/N=C/c2ccc(N(CC)Cc3ccccc3)cc2)cc1.
What is the InChIKey of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide?
The InChIKey is BNZOSFINCOIMDH-XIEYBQDHSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-3-27(19-21-8-6-5-7-9-21)22-12-10-20(11-13-22)18-25-26-31(28,29)24-16-14-23(15-17-24)30-4-2/h5-18,26H,3-4,19H2,1-2H3/b25-18+.
What are the key properties of N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide?
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide has a molecular weight of 437.57 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 110516650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).