(2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

C18H17N5O4S2 — CID 155558216

IUPAC(2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)s1
InChIInChI=1S/C18H17N5O4S2/c19-29(25,26)18-22-21-17(28-18)20-16(24)15(11-13-7-3-1-4-8-13)23-27-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,25,26)(H,20,21,24)/b23-15+
InChIKeyOUSPVPRHYSQACR-HZHRSRAPSA-N
MW431.50 g/mol
LogP1.94
Rot. Bonds8

About (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

(2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 155558216) has the molecular formula C18H17N5O4S2 and a molecular weight of 431.50 g/mol. Its IUPAC name is (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID155558216
Molecular FormulaC18H17N5O4S2
Molecular Weight431.50 g/mol
Exact Mass431.07
IUPAC Name(2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)s1
InChIInChI=1S/C18H17N5O4S2/c19-29(25,26)18-22-21-17(28-18)20-16(24)15(11-13-7-3-1-4-8-13)23-27-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,25,26)(H,20,21,24)/b23-15+
InChIKeyOUSPVPRHYSQACR-HZHRSRAPSA-N
XLogP1.94
TPSA136.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide (CID 155558216) is (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide is NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/OCc2ccccc2)s1.
What is the InChIKey of (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is OUSPVPRHYSQACR-HZHRSRAPSA-N. The full InChI is InChI=1S/C18H17N5O4S2/c19-29(25,26)18-22-21-17(28-18)20-16(24)15(11-13-7-3-1-4-8-13)23-27-12-14-9-5-2-6-10-14/h1-10H,11-12H2,(H2,19,25,26)(H,20,21,24)/b23-15+.
What are the key properties of (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
(2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 431.50 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 155558216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).