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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Related Compounds

N-[2-hydroxy-4-[[(Z)-3-methylsulfonylbut-2-en-2-yl]oxyamino]phenyl]-1-methylpyrazole-4-carboxamide
CID 59966419
N-[2-hydroxy-4-[[(Z)-3-methylsulfonylbut-2-en-2-yl]oxyamino]phenyl]furan-3-carboxamide
CID 59891747
N-(4-acetamido-2-hydroxyphenyl)-3,4-dimethyl-2-propan-2-ylidenepent-3-enamide
CID 54698690
N-[4-(4-acetamido-3-hydroxyphenyl)phenyl]acetamide
CID 54399317
N-[2-hydroxy-4-(2-methylprop-2-enylamino)phenyl]acetamide
CID 18982737
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
N-(4-formyl-2-hydroxyphenyl)acetamide
CID 84767760
N-(2-sulfamoyl-1-benzothiophen-6-yl)acetamide
CID 14390577
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
acetyl 4-acetamido-2-hydroxybenzoate
CID 88771409
N-(2-pyridin-4-ylsulfonylethyl)acetamide
CID 19079196
4-acetamidobenzenesulfonic acid chloride
CID 53446633

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).