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

C11H15N3O4S — CID 142468604

IUPAC(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C11H15N3O4S/c12-19(17,18)7-6-13-11(15)10(14-16)8-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,13,15)(H2,12,17,18)/b14-10+
InChIKeyGJZBDHGVQJXEAQ-GXDHUFHOSA-N
MW285.32 g/mol
LogP-0.54
Rot. Bonds6

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

(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide (PubChem CID 142468604) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide
PubChem CID142468604
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide
SMILESNS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C11H15N3O4S/c12-19(17,18)7-6-13-11(15)10(14-16)8-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,13,15)(H2,12,17,18)/b14-10+
InChIKeyGJZBDHGVQJXEAQ-GXDHUFHOSA-N
XLogP-0.54
TPSA121.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

(2E)-3-(3-bromophenyl)-2-hydroxyimino-N-(2-sulfamoylethyl)propanamide
CID 142468602
2-(2-Mercaptomethyl-5-phenyl-pentanoylamino)-ethanesulfonic acid (0.75H2O)
CID 15120754
(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide
CID 57326716
(2E)-3-(4-fluorophenyl)-2-hydroxyimino-N-(2-sulfanylethyl)propanamide
CID 57326807
(2E)-3-phenyl-2-phenylmethoxyimino-N-(2-sulfamoylethyl)propanamide
CID 155534055
(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methylphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methylphenyl)propanamide
CID 155548945
(2E)-2-hydroxyimino-3-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 155560951
Phenylacetyltaurine
CID 2179693
(2E)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10917737
(2Z)-3-(4-fluorophenyl)-N-[2-[2-[[(2E)-3-(4-fluorophenyl)-2-hydroxyiminopropanoyl]amino]ethyldisulfanyl]ethyl]-2-hydroxyiminopropanamide
CID 118733281
(2Z)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-(4-methylphenyl)propanoyl]amino]ethyldisulfanyl]ethyl]-3-(4-methylphenyl)propanamide
CID 118733283
(2Z)-2-hydroxyimino-N-[2-[2-[[(2E)-2-hydroxyimino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 118733284

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide?
The IUPAC name of (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide (CID 142468604) is (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide is NS(=O)(=O)CCNC(=O)/C(Cc1ccccc1)=N/O.
What is the InChIKey of (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide?
The InChIKey is GJZBDHGVQJXEAQ-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-19(17,18)7-6-13-11(15)10(14-16)8-9-4-2-1-3-5-9/h1-5,16H,6-8H2,(H,13,15)(H2,12,17,18)/b14-10+.
What are the key properties of (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide?
(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide has a molecular weight of 285.32 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfamoylethyl)propanamide is sourced from PubChem (CID 142468604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).