(2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide

C13H15NO4S — CID 10062255

IUPAC(2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide
SMILESCOc1ccc(S(=O)C/C=C/C=C/C(=O)NO)cc1
InChIInChI=1S/C13H15NO4S/c1-18-11-6-8-12(9-7-11)19(17)10-4-2-3-5-13(15)14-16/h2-9,16H,10H2,1H3,(H,14,15)/b4-2+,5-3+
InChIKeyBHWJJQKFCHXYLD-ZUVMSYQZSA-N
MW281.33 g/mol
LogP1.42
Rot. Bonds6

About (2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide

(2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide (PubChem CID 10062255) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is (2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide
PubChem CID10062255
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC Name(2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide
SMILESCOc1ccc(S(=O)C/C=C/C=C/C(=O)NO)cc1
InChIInChI=1S/C13H15NO4S/c1-18-11-6-8-12(9-7-11)19(17)10-4-2-3-5-13(15)14-16/h2-9,16H,10H2,1H3,(H,14,15)/b4-2+,5-3+
InChIKeyBHWJJQKFCHXYLD-ZUVMSYQZSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.42
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-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide (CID 10062255) is (2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide is COc1ccc(S(=O)C/C=C/C=C/C(=O)NO)cc1.
What is the InChIKey of (2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide?
The InChIKey is BHWJJQKFCHXYLD-ZUVMSYQZSA-N. The full InChI is InChI=1S/C13H15NO4S/c1-18-11-6-8-12(9-7-11)19(17)10-4-2-3-5-13(15)14-16/h2-9,16H,10H2,1H3,(H,14,15)/b4-2+,5-3+.
What are the key properties of (2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide?
(2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide has a molecular weight of 281.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-hydroxy-6-(4-methoxyphenyl)sulfinylhexa-2,4-dienamide is sourced from PubChem (CID 10062255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).