(2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide

C15H19NO4S — CID 53319213

IUPAC(2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide
SMILESCC(/C=C/C(=O)NO)=C\C(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO4S/c1-11-4-7-14(8-5-11)21(19,20)13(3)10-12(2)6-9-15(17)16-18/h4-10,13,18H,1-3H3,(H,16,17)/b9-6+,12-10+
InChIKeyJUBNSJKTRSAWBY-LWGDNYCUSA-N
MW309.39 g/mol
LogP2.17
Rot. Bonds5

About (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide

(2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide (PubChem CID 53319213) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide
PubChem CID53319213
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name(2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide
SMILESCC(/C=C/C(=O)NO)=C\C(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H19NO4S/c1-11-4-7-14(8-5-11)21(19,20)13(3)10-12(2)6-9-15(17)16-18/h4-10,13,18H,1-3H3,(H,16,17)/b9-6+,12-10+
InChIKeyJUBNSJKTRSAWBY-LWGDNYCUSA-N
XLogP2.17
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide (CID 53319213) is (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide is CC(/C=C/C(=O)NO)=C\C(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide?
The InChIKey is JUBNSJKTRSAWBY-LWGDNYCUSA-N. The full InChI is InChI=1S/C15H19NO4S/c1-11-4-7-14(8-5-11)21(19,20)13(3)10-12(2)6-9-15(17)16-18/h4-10,13,18H,1-3H3,(H,16,17)/b9-6+,12-10+.
What are the key properties of (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide?
(2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide has a molecular weight of 309.39 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-hydroxy-4-methyl-6-(4-methylphenyl)sulfonylhepta-2,4-dienamide is sourced from PubChem (CID 53319213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).