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

C11H11N5O4S2 — CID 142468589

IUPAC(2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/O)s1
InChIInChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+
InChIKeyIFDUAATUGGFNHG-LZYBPNLTSA-N
MW341.37 g/mol
LogP0.20
Rot. Bonds5

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

(2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 142468589) has the molecular formula C11H11N5O4S2 and a molecular weight of 341.37 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID142468589
Molecular FormulaC11H11N5O4S2
Molecular Weight341.37 g/mol
Exact Mass341.03
IUPAC Name(2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESNS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/O)s1
InChIInChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+
InChIKeyIFDUAATUGGFNHG-LZYBPNLTSA-N
XLogP0.20
TPSA147.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.20
H-Bond Donors ≤ 53
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Sulfonamide deriv., 8
CID 44520906
2-(3-Phenylpropionylamino)-1,3,4-thiadiazole-5-sulfonamide
CID 54430554
(2E)-2-(oxan-2-yloxyimino)-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 155510724
2-(4-fluorophenyl)-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide
CID 71764827
(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 155530408
(2E)-3-phenyl-2-phenylmethoxyimino-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 155558216
(2S)-2-amino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide;hydrobromide
CID 18642237
(2S)-2-amino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide
CID 18642235
N-[5-(hydroxysulfamoyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
CID 123835386
3-(2,5-difluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
CID 56020635
3-(3,4-difluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]propanamide
CID 87037178
2-(2-fluorophenyl)-N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]acetamide
CID 122133752

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide (CID 142468589) is (2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide is NS(=O)(=O)c1nnc(NC(=O)/C(Cc2ccccc2)=N/O)s1.
What is the InChIKey of (2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is IFDUAATUGGFNHG-LZYBPNLTSA-N. The full InChI is InChI=1S/C11H11N5O4S2/c12-22(19,20)11-15-14-10(21-11)13-9(17)8(16-18)6-7-4-2-1-3-5-7/h1-5,18H,6H2,(H2,12,19,20)(H,13,14,17)/b16-8+.
What are the key properties of (2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide?
(2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 341.37 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 142468589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).