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

C22H20BrN3O4S — CID 155518225

IUPAC(2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C22H20BrN3O4S/c23-18-8-4-7-17(13-18)14-21(26-30-15-16-5-2-1-3-6-16)22(27)25-19-9-11-20(12-10-19)31(24,28)29/h1-13H,14-15H2,(H,25,27)(H2,24,28,29)/b26-21+
InChIKeyTWQRCDNCCXDBSL-YYADALCUSA-N
MW502.39 g/mol
LogP3.85
Rot. Bonds8

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

(2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide (PubChem CID 155518225) has the molecular formula C22H20BrN3O4S and a molecular weight of 502.39 g/mol. Its IUPAC name is (2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name(2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
PubChem CID155518225
Molecular FormulaC22H20BrN3O4S
Molecular Weight502.39 g/mol
Exact Mass501.04
IUPAC Name(2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1
InChIInChI=1S/C22H20BrN3O4S/c23-18-8-4-7-17(13-18)14-21(26-30-15-16-5-2-1-3-6-16)22(27)25-19-9-11-20(12-10-19)31(24,28)29/h1-13H,14-15H2,(H,25,27)(H2,24,28,29)/b26-21+
InChIKeyTWQRCDNCCXDBSL-YYADALCUSA-N
XLogP3.85
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.39
LogP ≤ 53.85
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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Related Compounds

(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide
CID 155516550
(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(4-sulfamoylphenyl)propanamide
CID 155529122
(2E)-3-(3-bromophenyl)-2-(oxan-2-yloxyimino)-N-(4-sulfamoylphenyl)propanamide
CID 155555584
(2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 155565773
3-(3-bromophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 44295656
(2E)-3-phenyl-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide
CID 155530289
N-[4-[(3,4-difluorophenyl)sulfonylamino]phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 56006403
N-{4-[(4-bromophenyl)sulfamoyl]phenyl}-2-methoxy-2-phenylacetamide
CID 2931394
(2E)-3-(3-bromophenyl)-N-(4-methylphenyl)-2-phenylmethoxyiminopropanamide
CID 142468588
(2S)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide
CID 1290052
(2R)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-methoxy-2-phenylacetamide
CID 1290054
3-(3-bromophenyl)-N-(4-morpholin-4-ylsulfonylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19495580

Frequently Asked Questions

What is the IUPAC name of (2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
The IUPAC name of (2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide (CID 155518225) is (2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for (2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for (2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide is NS(=O)(=O)c1ccc(NC(=O)/C(Cc2cccc(Br)c2)=N/OCc2ccccc2)cc1.
What is the InChIKey of (2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
The InChIKey is TWQRCDNCCXDBSL-YYADALCUSA-N. The full InChI is InChI=1S/C22H20BrN3O4S/c23-18-8-4-7-17(13-18)14-21(26-30-15-16-5-2-1-3-6-16)22(27)25-19-9-11-20(12-10-19)31(24,28)29/h1-13H,14-15H2,(H,25,27)(H2,24,28,29)/b26-21+.
What are the key properties of (2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide?
(2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide has a molecular weight of 502.39 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-(3-bromophenyl)-2-phenylmethoxyimino-N-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 155518225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).