N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide

C20H21NO2S — CID 154719683

IUPACN-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide
SMILESCc1cccc(/C=C/C(/C=C/c2cccc(C)c2)=NS(C)(=O)=O)c1
InChIInChI=1S/C20H21NO2S/c1-16-6-4-8-18(14-16)10-12-20(21-24(3,22)23)13-11-19-9-5-7-17(2)15-19/h4-15H,1-3H3/b12-10+,13-11+
InChIKeyRNEYNLQIQMYFPU-DCIPZJNNSA-N
MW339.46 g/mol
LogP4.43
Rot. Bonds5

About N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide

N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide (PubChem CID 154719683) has the molecular formula C20H21NO2S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide.

Molecular Properties

Compound NameN-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide
PubChem CID154719683
Molecular FormulaC20H21NO2S
Molecular Weight339.46 g/mol
Exact Mass339.13
IUPAC NameN-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide
SMILESCc1cccc(/C=C/C(/C=C/c2cccc(C)c2)=NS(C)(=O)=O)c1
InChIInChI=1S/C20H21NO2S/c1-16-6-4-8-18(14-16)10-12-20(21-24(3,22)23)13-11-19-9-5-7-17(2)15-19/h4-15H,1-3H3/b12-10+,13-11+
InChIKeyRNEYNLQIQMYFPU-DCIPZJNNSA-N
XLogP4.43
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide 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

1-methyl-3-[(E)-2-(3-methylphenyl)ethenyl]benzene
CID 12625550
3-[(Z)-2-(3-hydroxyphenyl)ethenyl]phenol;3-[(E)-2-(3-methylphenyl)ethenyl]phenol
CID 159541553
(E)-3-(3-methylphenyl)prop-2-enethioyl chloride
CID 22736701
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
CID 175536541
ethane;1-methyl-3-[(Z)-prop-1-enyl]benzene
CID 163241794
1,4-bis[2-(3-methylphenyl)ethenyl]benzene;1,4-bis[2-(4-methylphenyl)ethenyl]benzene
CID 158666268
(Z)-2-(3-methylphenyl)ethenamine
CID 142266989
1-[(E)-3-bromoprop-1-enyl]-3-methylbenzene
CID 15662681
(E)-N-(4-acetamidophenyl)-3-(3-methylphenyl)prop-2-enamide
CID 26908907
sulfuric acid;1,3-xylene
CID 70361760
(E)-1-(3-methylphenyl)hept-1-en-3-one
CID 102346622
(E)-3-(3-methylphenyl)-2-methylsulfonylprop-2-enenitrile
CID 8828339

Frequently Asked Questions

What is the IUPAC name of N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide?
The IUPAC name of N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide (CID 154719683) is N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide.
What is the SMILES notation for N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide?
The canonical SMILES for N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide is Cc1cccc(/C=C/C(/C=C/c2cccc(C)c2)=NS(C)(=O)=O)c1.
What is the InChIKey of N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide?
The InChIKey is RNEYNLQIQMYFPU-DCIPZJNNSA-N. The full InChI is InChI=1S/C20H21NO2S/c1-16-6-4-8-18(14-16)10-12-20(21-24(3,22)23)13-11-19-9-5-7-17(2)15-19/h4-15H,1-3H3/b12-10+,13-11+.
What are the key properties of N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide?
N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide has a molecular weight of 339.46 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1E,4E)-1,5-bis(3-methylphenyl)penta-1,4-dien-3-ylidene]methanesulfonamide is sourced from PubChem (CID 154719683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).