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

C19H25NO2S — CID 11681501

IUPAC4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide
SMILESC=C(C)/C=C/CN(CC=C=C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H25NO2S/c1-16(2)8-6-14-20(15-7-9-17(3)4)23(21,22)19-12-10-18(5)11-13-19/h6-8,10-13H,1,14-15H2,2-5H3/b8-6+
InChIKeyXIBCVRKITXDTHB-SOFGYWHQSA-N
MW331.48 g/mol
LogP4.24
Rot. Bonds7

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

4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide (PubChem CID 11681501) has the molecular formula C19H25NO2S and a molecular weight of 331.48 g/mol. Its IUPAC name is 4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide
PubChem CID11681501
Molecular FormulaC19H25NO2S
Molecular Weight331.48 g/mol
Exact Mass331.16
IUPAC Name4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide
SMILESC=C(C)/C=C/CN(CC=C=C(C)C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H25NO2S/c1-16(2)8-6-14-20(15-7-9-17(3)4)23(21,22)19-12-10-18(5)11-13-19/h6-8,10-13H,1,14-15H2,2-5H3/b8-6+
InChIKeyXIBCVRKITXDTHB-SOFGYWHQSA-N
XLogP4.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.48
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(2Z)-penta-2,4-dienyl]benzenesulfonamide
CID 102417724
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
4-methyl-N-[(E)-pent-2-en-4-ynyl]-N-prop-2-enylbenzenesulfonamide
CID 102262070
4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]-N-[5,5,5-trideuterio-4-(trideuteriomethyl)penta-2,3-dienyl]benzenesulfonamide
CID 134955234
N-[(E)-but-2-enyl]-N-[(2E,4E)-hexa-2,4-dienyl]-4-methylbenzenesulfonamide
CID 101256221
4-methyl-N,N-bis(sulfanylmethyl)benzenesulfonamide
CID 122393288
N-[(Z)-but-2-enyl]-N-(3-hydroxypropyl)-4-methylbenzenesulfonamide
CID 11608901
N-but-2-ynyl-N-[(Z)-4-hydroxybut-2-enyl]-4-methylbenzenesulfonamide
CID 135020225
N-buta-2,3-dienyl-N-[(2E)-2-[(R)-tert-butylsulfinyl]iminoethyl]-4-methylbenzenesulfonamide
CID 11314658
4-methyl-N-(3-oxobutyl)-N-prop-2-enylbenzenesulfonamide
CID 102089023
N-(4-hydroxybut-2-ynyl)-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11011363
S-ethyl (E)-4-[(4-methylphenyl)sulfonyl-[(E)-3-(4-nitrophenyl)sulfonylprop-2-enyl]amino]but-2-enethioate
CID 11386909

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide (CID 11681501) is 4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide is C=C(C)/C=C/CN(CC=C=C(C)C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide?
The InChIKey is XIBCVRKITXDTHB-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H25NO2S/c1-16(2)8-6-14-20(15-7-9-17(3)4)23(21,22)19-12-10-18(5)11-13-19/h6-8,10-13H,1,14-15H2,2-5H3/b8-6+.
What are the key properties of 4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide?
4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide has a molecular weight of 331.48 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2E)-4-methylpenta-2,4-dienyl]-N-(4-methylpenta-2,3-dienyl)benzenesulfonamide is sourced from PubChem (CID 11681501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).