N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide

C12H16N2O2S — CID 61119625

IUPACN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C12H16N2O2S/c1-2-16-8-10(15)14-11(12(13)17)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyUICLBRRFXJSONO-UHFFFAOYSA-N
MW252.34 g/mol
LogP1.17
Rot. Bonds6

About N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide

N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide (PubChem CID 61119625) has the molecular formula C12H16N2O2S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide
PubChem CID61119625
Molecular FormulaC12H16N2O2S
Molecular Weight252.34 g/mol
Exact Mass252.09
IUPAC NameN-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC(C(N)=S)c1ccccc1
InChIInChI=1S/C12H16N2O2S/c1-2-16-8-10(15)14-11(12(13)17)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H2,13,17)(H,14,15)
InChIKeyUICLBRRFXJSONO-UHFFFAOYSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 51.17
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-(2-amino-1-phenylethyl)-2-ethoxyacetamide
CID 63755765
2-ethoxy-N-(2-hydroxy-1-phenylethyl)acetamide
CID 63184517
2-ethoxy-N-[(1S)-2-hydroxy-1-phenylethyl]acetamide
CID 103944946
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-propylpentanamide
CID 82984600
methyl 2-(3-ethoxypropanoylamino)-2-phenylacetate
CID 55091693
4-[(2-ethoxyacetyl)amino]-4-phenylbutanoic acid
CID 60825345
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-(3-methylphenyl)acetamide
CID 62388540
2-[[2-(2-methoxyethoxy)acetyl]amino]-2-phenylacetic acid
CID 43171869
N-(2-amino-2-phenylethyl)-2-ethoxyacetamide;hydrochloride
CID 119528845
2-ethoxy-N-[furan-2-yl(phenyl)methyl]acetamide
CID 60712310
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-thiophen-2-ylacetamide
CID 61121759
2-ethoxy-N-[phenyl(thiophen-2-yl)methyl]acetamide
CID 60682552

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide?
The IUPAC name of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide (CID 61119625) is N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide.
What is the SMILES notation for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide?
The canonical SMILES for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide is CCOCC(=O)NC(C(N)=S)c1ccccc1.
What is the InChIKey of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide?
The InChIKey is UICLBRRFXJSONO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2S/c1-2-16-8-10(15)14-11(12(13)17)9-6-4-3-5-7-9/h3-7,11H,2,8H2,1H3,(H2,13,17)(H,14,15).
What are the key properties of N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide?
N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide has a molecular weight of 252.34 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-phenyl-2-sulfanylideneethyl)-2-ethoxyacetamide is sourced from PubChem (CID 61119625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).