4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide

C27H28N2O3S — CID 24766107

IUPAC4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide
SMILESC=C/C(C)=C/C(=N\NS(=O)(=O)c1ccc(C)cc1)C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O3S/c1-4-21(2)19-26(28-29-33(30,31)25-17-15-22(3)16-18-25)27(24-13-9-6-10-14-24)32-20-23-11-7-5-8-12-23/h4-19,27,29H,1,20H2,2-3H3/b21-19+,28-26+
InChIKeyGEYJJAKXBMJTME-PACVJADRSA-N
MW460.60 g/mol
LogP5.72
Rot. Bonds10

About 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide

4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide (PubChem CID 24766107) has the molecular formula C27H28N2O3S and a molecular weight of 460.60 g/mol. Its IUPAC name is 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide
PubChem CID24766107
Molecular FormulaC27H28N2O3S
Molecular Weight460.60 g/mol
Exact Mass460.18
IUPAC Name4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide
SMILESC=C/C(C)=C/C(=N\NS(=O)(=O)c1ccc(C)cc1)C(OCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H28N2O3S/c1-4-21(2)19-26(28-29-33(30,31)25-17-15-22(3)16-18-25)27(24-13-9-6-10-14-24)32-20-23-11-7-5-8-12-23/h4-19,27,29H,1,20H2,2-3H3/b21-19+,28-26+
InChIKeyGEYJJAKXBMJTME-PACVJADRSA-N
XLogP5.72
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.60
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-N-[(E)-4-phenylmethoxybutan-2-ylideneamino]benzenesulfonamide
CID 177447392
N-[(E)-[(2Z)-1,2-diphenyl-2-phenylmethoxyiminoethylidene]amino]-4-methylbenzenesulfonamide
CID 6415851
N-[(E)-1,2-diphenylethylideneamino]-4-methylbenzenesulfonamide
CID 6370396
N-[(E)-1-(benzenesulfonyl)propan-2-ylideneamino]-4-methylbenzenesulfonamide
CID 137357878
4-methyl-N-[(Z)-1-phenylethylideneamino]benzenesulfonamide
CID 6287802
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
1-methyl-4-(1-phenylmethoxybut-3-enyl)benzene
CID 100950686
methyl 2-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-phenylmethoxyacetate
CID 87298251
4-methyl-N-[[1-[(4-methylphenyl)sulfonylhydrazinylidene]-1-phenylpropan-2-ylidene]amino]benzenesulfonamide
CID 6817467
[(2E)-2-(benzenesulfonylhydrazinylidene)-1,2-diphenylethyl] prop-2-enoate
CID 142494385
N-[(E)-1-phenylpropan-2-ylideneamino]benzenesulfonamide
CID 6024273
4-methyl-N-[(2S)-1-phenylpent-4-en-2-yl]benzenesulfonamide
CID 45102183

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide (CID 24766107) is 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide is C=C/C(C)=C/C(=N\NS(=O)(=O)c1ccc(C)cc1)C(OCc1ccccc1)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide?
The InChIKey is GEYJJAKXBMJTME-PACVJADRSA-N. The full InChI is InChI=1S/C27H28N2O3S/c1-4-21(2)19-26(28-29-33(30,31)25-17-15-22(3)16-18-25)27(24-13-9-6-10-14-24)32-20-23-11-7-5-8-12-23/h4-19,27,29H,1,20H2,2-3H3/b21-19+,28-26+.
What are the key properties of 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide?
4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide has a molecular weight of 460.60 g/mol, XLogP of 5.72, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-[(3E)-4-methyl-1-phenyl-1-phenylmethoxyhexa-3,5-dien-2-ylidene]amino]benzenesulfonamide is sourced from PubChem (CID 24766107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).