(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide

C16H22N2O3S — CID 75533656

IUPAC(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1
InChIInChI=1S/C16H22N2O3S/c1-3-5-7-8-16(19)17-14-9-11-15(12-10-14)18-22(20,21)13-6-4-2/h3,5,7-12,18H,4,6,13H2,1-2H3,(H,17,19)/b5-3+,8-7+
InChIKeyOGYXODDCDHCZCS-VSAQMIDASA-N
MW322.43 g/mol
LogP3.30
Rot. Bonds8

About (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide

(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide (PubChem CID 75533656) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide
PubChem CID75533656
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide
SMILESC/C=C/C=C/C(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1
InChIInChI=1S/C16H22N2O3S/c1-3-5-7-8-16(19)17-14-9-11-15(12-10-14)18-22(20,21)13-6-4-2/h3,5,7-12,18H,4,6,13H2,1-2H3,(H,17,19)/b5-3+,8-7+
InChIKeyOGYXODDCDHCZCS-VSAQMIDASA-N
XLogP3.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-[4-(phenylsulfamoyl)phenyl]hexa-2,4-dienamide
CID 17460381
N-[4-(butylsulfonylamino)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 119800492
4-[[(2Z,4E)-hexa-2,4-dienoyl]amino]benzoic acid
CID 99872148
(2E,4E)-N-[4-(methylcarbamoylamino)phenyl]hexa-2,4-dienamide
CID 47143172
(2E,4E)-N-(4-acetylphenyl)hexa-2,4-dienamide
CID 26664564
(2E,4E)-N-[4-(2-methylpropanoylamino)phenyl]hexa-2,4-dienamide
CID 26679975
N-(4-benzoylphenyl)butane-1-sulfonamide
CID 21486671
N-[4-(hydrazinecarbonyl)phenyl]pentane-1-sulfonamide
CID 67849300
N-[4-(methylsulfamoylamino)phenyl]pentane-1-sulfonamide
CID 154755711
N-[4-(methanesulfonamido)phenyl]octane-1-sulfonamide
CID 15040315
1-amino-N-[4-(butylsulfonylamino)phenyl]cyclopentane-1-carboxamide
CID 119333202
1-amino-N-[4-(butylsulfonylamino)phenyl]cyclohexane-1-carboxamide
CID 119333210

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide (CID 75533656) is (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide is C/C=C/C=C/C(=O)Nc1ccc(NS(=O)(=O)CCCC)cc1.
What is the InChIKey of (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide?
The InChIKey is OGYXODDCDHCZCS-VSAQMIDASA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-3-5-7-8-16(19)17-14-9-11-15(12-10-14)18-22(20,21)13-6-4-2/h3,5,7-12,18H,4,6,13H2,1-2H3,(H,17,19)/b5-3+,8-7+.
What are the key properties of (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide?
(2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide has a molecular weight of 322.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[4-(butylsulfonylamino)phenyl]hexa-2,4-dienamide is sourced from PubChem (CID 75533656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).