(2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide

C22H21N3O4S — CID 155530289

IUPAC(2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O4S/c23-30(27,28)20-13-11-19(12-14-20)24-22(26)21(15-17-7-3-1-4-8-17)25-29-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,24,26)(H2,23,27,28)/b25-21+
InChIKeyDSADTYIDJHFCSL-NJNXFGOHSA-N
MW423.49 g/mol
LogP3.09
Rot. Bonds8

About (2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide

(2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide (PubChem CID 155530289) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is (2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
PubChem CID155530289
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC Name(2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C22H21N3O4S/c23-30(27,28)20-13-11-19(12-14-20)24-22(26)21(15-17-7-3-1-4-8-17)25-29-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,24,26)(H2,23,27,28)/b25-21+
InChIKeyDSADTYIDJHFCSL-NJNXFGOHSA-N
XLogP3.09
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide (CID 155530289) is (2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)cc1.
What is the InChIKey of (2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is DSADTYIDJHFCSL-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H21N3O4S/c23-30(27,28)20-13-11-19(12-14-20)24-22(26)21(15-17-7-3-1-4-8-17)25-29-16-18-9-5-2-6-10-18/h1-14H,15-16H2,(H,24,26)(H2,23,27,28)/b25-21+.
What are the key properties of (2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
(2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 423.49 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 155530289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).