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

C23H23N3O5S — CID 155540629

IUPAC(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O5S/c24-32(29,30)21-12-8-18(9-13-21)15-25-23(28)22(14-17-6-10-20(27)11-7-17)26-31-16-19-4-2-1-3-5-19/h1-13,27H,14-16H2,(H,25,28)(H2,24,29,30)/b26-22+
InChIKeyCHLLBTSJOUDGTR-XTCLZLMSSA-N
MW453.52 g/mol
LogP2.47
Rot. Bonds9

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

(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide (PubChem CID 155540629) has the molecular formula C23H23N3O5S and a molecular weight of 453.52 g/mol. Its IUPAC name is (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
PubChem CID155540629
Molecular FormulaC23H23N3O5S
Molecular Weight453.52 g/mol
Exact Mass453.14
IUPAC Name(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C23H23N3O5S/c24-32(29,30)21-12-8-18(9-13-21)15-25-23(28)22(14-17-6-10-20(27)11-7-17)26-31-16-19-4-2-1-3-5-19/h1-13,27H,14-16H2,(H,25,28)(H2,24,29,30)/b26-22+
InChIKeyCHLLBTSJOUDGTR-XTCLZLMSSA-N
XLogP2.47
TPSA131.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.47
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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Related Compounds

2-[[amino-[[2-(4-hydroxyphenyl)acetyl]amino]methylidene]amino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 123682197
(2S)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 28561823
[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 42981356
methyl 3-phenyl-2-[(4-sulfamoylphenyl)methylcarbamoylamino]propanoate
CID 4593690
N-[2-(4-hydroxyphenyl)ethyl]-N'-[2-(4-sulfamoylphenyl)ethyl]oxamide
CID 108503154
5-phenyl-N-[(4-sulfamoylphenyl)methyl]pentanamide
CID 118398571
N-(3-methylbutyl)-N'-[(4-sulfamoylphenyl)methyl]oxamide
CID 108520363
N-benzyl-2-(4-hydroxyphenyl)-N'-methylethanimidamide
CID 129113228
2-methyl-1-(2-methyl-3-phenylmethoxypropyl)-3-[(4-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111953372
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
ethyl N-[(4-sulfamoylphenyl)methyl]carbamate
CID 5054603
N-benzyl-2-(4-methylsulfonylphenyl)acetamide
CID 110771278

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide (CID 155540629) is (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)/C(Cc2ccc(O)cc2)=N/OCc2ccccc2)cc1.
What is the InChIKey of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide?
The InChIKey is CHLLBTSJOUDGTR-XTCLZLMSSA-N. The full InChI is InChI=1S/C23H23N3O5S/c24-32(29,30)21-12-8-18(9-13-21)15-25-23(28)22(14-17-6-10-20(27)11-7-17)26-31-16-19-4-2-1-3-5-19/h1-13,27H,14-16H2,(H,25,28)(H2,24,29,30)/b26-22+.
What are the key properties of (2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide?
(2E)-3-(4-hydroxyphenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide has a molecular weight of 453.52 g/mol, XLogP of 2.47, 9 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-[(4-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 155540629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).