N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide

C17H19N3O5S — CID 59966433

IUPACN-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NO/C(C)=C(/C)S(=O)(=O)c2ccncc2)cc1O
InChIInChI=1S/C17H19N3O5S/c1-11(12(2)26(23,24)15-6-8-18-9-7-15)25-20-14-4-5-16(17(22)10-14)19-13(3)21/h4-10,20,22H,1-3H3,(H,19,21)/b12-11-
InChIKeyABBFHPCXDZKVPT-QXMHVHEDSA-N
MW377.42 g/mol
LogP2.81
Rot. Bonds6

About N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide

N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide (PubChem CID 59966433) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide
PubChem CID59966433
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC NameN-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NO/C(C)=C(/C)S(=O)(=O)c2ccncc2)cc1O
InChIInChI=1S/C17H19N3O5S/c1-11(12(2)26(23,24)15-6-8-18-9-7-15)25-20-14-4-5-16(17(22)10-14)19-13(3)21/h4-10,20,22H,1-3H3,(H,19,21)/b12-11-
InChIKeyABBFHPCXDZKVPT-QXMHVHEDSA-N
XLogP2.81
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide?
The IUPAC name of N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide (CID 59966433) is N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide.
What is the SMILES notation for N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide?
The canonical SMILES for N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide is CC(=O)Nc1ccc(NO/C(C)=C(/C)S(=O)(=O)c2ccncc2)cc1O.
What is the InChIKey of N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide?
The InChIKey is ABBFHPCXDZKVPT-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11(12(2)26(23,24)15-6-8-18-9-7-15)25-20-14-4-5-16(17(22)10-14)19-13(3)21/h4-10,20,22H,1-3H3,(H,19,21)/b12-11-.
What are the key properties of N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide?
N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide has a molecular weight of 377.42 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-4-[[(Z)-3-pyridin-4-ylsulfonylbut-2-en-2-yl]oxyamino]phenyl]acetamide is sourced from PubChem (CID 59966433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).