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

C24H25N3O5S — CID 155517544

IUPAC(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C24H25N3O5S/c25-33(30,31)22-12-8-18(9-13-22)14-15-26-24(29)23(16-19-6-10-21(28)11-7-19)27-32-17-20-4-2-1-3-5-20/h1-13,28H,14-17H2,(H,26,29)(H2,25,30,31)/b27-23+
InChIKeyKUUJWIJNXRPGQZ-SLEBQGDGSA-N
MW467.55 g/mol
LogP2.51
Rot. Bonds10

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

(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (PubChem CID 155517544) has the molecular formula C24H25N3O5S and a molecular weight of 467.55 g/mol. Its IUPAC name is (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
PubChem CID155517544
Molecular FormulaC24H25N3O5S
Molecular Weight467.55 g/mol
Exact Mass467.15
IUPAC Name(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C24H25N3O5S/c25-33(30,31)22-12-8-18(9-13-22)14-15-26-24(29)23(16-19-6-10-21(28)11-7-19)27-32-17-20-4-2-1-3-5-20/h1-13,28H,14-17H2,(H,26,29)(H2,25,30,31)/b27-23+
InChIKeyKUUJWIJNXRPGQZ-SLEBQGDGSA-N
XLogP2.51
TPSA131.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The IUPAC name of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide (CID 155517544) is (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide.
What is the SMILES notation for (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The canonical SMILES for (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1.
What is the InChIKey of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
The InChIKey is KUUJWIJNXRPGQZ-SLEBQGDGSA-N. The full InChI is InChI=1S/C24H25N3O5S/c25-33(30,31)22-12-8-18(9-13-22)14-15-26-24(29)23(16-19-6-10-21(28)11-7-19)27-32-17-20-4-2-1-3-5-20/h1-13,28H,14-17H2,(H,26,29)(H2,25,30,31)/b27-23+.
What are the key properties of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide?
(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide has a molecular weight of 467.55 g/mol, XLogP of 2.51, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide is sourced from PubChem (CID 155517544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).