N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide

C10H12N2O2S — CID 61126897

IUPACN-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
SMILESNC(=S)CNC(=O)COc1ccccc1
InChIInChI=1S/C10H12N2O2S/c11-9(15)6-12-10(13)7-14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,15)(H,12,13)
InChIKeyQCUORZIPXMVRLC-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.47
Rot. Bonds5

About N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide

N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide (PubChem CID 61126897) has the molecular formula C10H12N2O2S and a molecular weight of 224.29 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
PubChem CID61126897
Molecular FormulaC10H12N2O2S
Molecular Weight224.29 g/mol
Exact Mass224.06
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide
SMILESNC(=S)CNC(=O)COc1ccccc1
InChIInChI=1S/C10H12N2O2S/c11-9(15)6-12-10(13)7-14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,15)(H,12,13)
InChIKeyQCUORZIPXMVRLC-UHFFFAOYSA-N
XLogP0.47
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-sulfanylidenepropyl)-2-phenoxyacetamide
CID 62666698
N-(hydroxymethyl)-2-phenoxyacetamide
CID 12769641
N-[2-[2-(benzylcarbamothioyl)hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 7977720
N-[4-(carbamothioylamino)phenyl]-2-phenoxyacetamide
CID 169359471
2-[(2-phenoxyacetyl)amino]-N-prop-2-enylacetamide
CID 2094904
N-(2-hydroxyphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 46665237
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
N-(3-aminobutyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 119497991
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
N-(1-amino-2-methylpropan-2-yl)-2-[(2-phenoxyacetyl)amino]acetamide;hydrochloride
CID 119523805
2-[[2-(4-aminophenoxy)acetyl]amino]acetamide
CID 61090712

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide (CID 61126897) is N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide is NC(=S)CNC(=O)COc1ccccc1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide?
The InChIKey is QCUORZIPXMVRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2S/c11-9(15)6-12-10(13)7-14-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,15)(H,12,13).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide?
N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide has a molecular weight of 224.29 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-2-phenoxyacetamide is sourced from PubChem (CID 61126897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).