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

C11H14N2O2S — CID 57326716

IUPAC(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide
SMILESO=C(NCCS)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C11H14N2O2S/c14-11(12-6-7-16)10(13-15)8-9-4-2-1-3-5-9/h1-5,15-16H,6-8H2,(H,12,14)/b13-10+
InChIKeyNAWJHEYTCAIPAM-JLHYYAGUSA-N
MW238.31 g/mol
LogP1.11
Rot. Bonds5

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

(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide (PubChem CID 57326716) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide
PubChem CID57326716
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide
SMILESO=C(NCCS)/C(Cc1ccccc1)=N/O
InChIInChI=1S/C11H14N2O2S/c14-11(12-6-7-16)10(13-15)8-9-4-2-1-3-5-9/h1-5,15-16H,6-8H2,(H,12,14)/b13-10+
InChIKeyNAWJHEYTCAIPAM-JLHYYAGUSA-N
XLogP1.11
TPSA61.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide?
The IUPAC name of (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide (CID 57326716) is (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide.
What is the SMILES notation for (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide?
The canonical SMILES for (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide is O=C(NCCS)/C(Cc1ccccc1)=N/O.
What is the InChIKey of (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide?
The InChIKey is NAWJHEYTCAIPAM-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H14N2O2S/c14-11(12-6-7-16)10(13-15)8-9-4-2-1-3-5-9/h1-5,15-16H,6-8H2,(H,12,14)/b13-10+.
What are the key properties of (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide?
(2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide has a molecular weight of 238.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-3-phenyl-N-(2-sulfanylethyl)propanamide is sourced from PubChem (CID 57326716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).