(2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide

C18H21N3O4S — CID 155534055

IUPAC(2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1
InChIInChI=1S/C18H21N3O4S/c19-26(23,24)12-11-20-18(22)17(13-15-7-3-1-4-8-15)21-25-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,22)(H2,19,23,24)/b21-17+
InChIKeySSXSONMYXMTUAR-HEHNFIMWSA-N
MW375.45 g/mol
LogP1.21
Rot. Bonds9

About (2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide

(2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide (PubChem CID 155534055) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is (2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name(2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide
PubChem CID155534055
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name(2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1
InChIInChI=1S/C18H21N3O4S/c19-26(23,24)12-11-20-18(22)17(13-15-7-3-1-4-8-15)21-25-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,22)(H2,19,23,24)/b21-17+
InChIKeySSXSONMYXMTUAR-HEHNFIMWSA-N
XLogP1.21
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.21
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-(2-sulfamoylethyl)propanamide?
The IUPAC name of (2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide (CID 155534055) is (2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for (2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for (2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide is NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/OCc1ccccc1.
What is the InChIKey of (2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide?
The InChIKey is SSXSONMYXMTUAR-HEHNFIMWSA-N. The full InChI is InChI=1S/C18H21N3O4S/c19-26(23,24)12-11-20-18(22)17(13-15-7-3-1-4-8-15)21-25-14-16-9-5-2-6-10-16/h1-10H,11-14H2,(H,20,22)(H2,19,23,24)/b21-17+.
What are the key properties of (2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide?
(2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide has a molecular weight of 375.45 g/mol, XLogP of 1.21, 9 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-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 155534055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).