(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C17H19N3O5S — CID 155520652

IUPAC(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1
InChIInChI=1S/C17H19N3O5S/c18-26(24,25)15-7-3-12(4-8-15)9-10-19-17(22)16(20-23)11-13-1-5-14(21)6-2-13/h1-8,21,23H,9-11H2,(H,19,22)(H2,18,24,25)/b20-16+
InChIKeyXWXZTJYMCSXZOK-CAPFRKAQSA-N
MW377.42 g/mol
LogP0.77
Rot. Bonds7

About (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 155520652) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID155520652
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1
InChIInChI=1S/C17H19N3O5S/c18-26(24,25)15-7-3-12(4-8-15)9-10-19-17(22)16(20-23)11-13-1-5-14(21)6-2-13/h1-8,21,23H,9-11H2,(H,19,22)(H2,18,24,25)/b20-16+
InChIKeyXWXZTJYMCSXZOK-CAPFRKAQSA-N
XLogP0.77
TPSA142.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 155520652) is (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1.
What is the InChIKey of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is XWXZTJYMCSXZOK-CAPFRKAQSA-N. The full InChI is InChI=1S/C17H19N3O5S/c18-26(24,25)15-7-3-12(4-8-15)9-10-19-17(22)16(20-23)11-13-1-5-14(21)6-2-13/h1-8,21,23H,9-11H2,(H,19,22)(H2,18,24,25)/b20-16+.
What are the key properties of (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
(2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 377.42 g/mol, XLogP of 0.77, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-3-(4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 155520652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).