4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide

C18H23NO2S — CID 102417724

IUPAC4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide
SMILESC=C/C=C\CN(CC=C=C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H23NO2S/c1-5-6-7-14-19(15-8-9-16(2)3)22(20,21)18-12-10-17(4)11-13-18/h5-8,10-13H,1,14-15H2,2-4H3/b7-6-
InChIKeyXIIGPKKTQLFBQC-SREVYHEPSA-N
MW317.45 g/mol
LogP3.85
Rot. Bonds7

About 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide

4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide (PubChem CID 102417724) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide
PubChem CID102417724
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC Name4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide
SMILESC=C/C=C\CN(CC=C=C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H23NO2S/c1-5-6-7-14-19(15-8-9-16(2)3)22(20,21)18-12-10-17(4)11-13-18/h5-8,10-13H,1,14-15H2,2-4H3/b7-6-
InChIKeyXIIGPKKTQLFBQC-SREVYHEPSA-N
XLogP3.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]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-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide
CID 11681501
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
N-(5,5-diphenylpent-4-en-2-ynyl)-4-methyl-N-[(2E)-penta-2,4-dienyl]benzenesulfonamide
CID 46176955
N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
CID 101256221
4-methyl-N-[(E)-pent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
CID 102262070
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023
4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]-N-[5,5,5-trideuterio-4-(trideuteriomethyl)penta-2,3-dienyl]benzenesulfonamide
CID 134955234
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
N,N-bis(3-chloropropyl)-4-methylbenzenesulfonamide
CID 11012755
N-(4-hydroxybut-2-ynyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11011363
4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
N-(2,2-dimethyl-3-oxopropyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 10494105

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide (CID 102417724) is 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide is C=C/C=C\CN(CC=C=C(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide?
The InChIKey is XIIGPKKTQLFBQC-SREVYHEPSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-5-6-7-14-19(15-8-9-16(2)3)22(20,21)18-12-10-17(4)11-13-18/h5-8,10-13H,1,14-15H2,2-4H3/b7-6-.
What are the key properties of 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide?
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide is sourced from PubChem (CID 102417724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).