2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide

C15H22N2O2S — CID 43116981

IUPAC2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H22N2O2S/c1-10(2)9-17-15(18)11(3)19-13-6-4-12(5-7-13)8-14(16)20/h4-7,10-11H,8-9H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyMWBIBGWVLLQANT-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.05
Rot. Bonds7

About 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide

2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide (PubChem CID 43116981) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide
PubChem CID43116981
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)Oc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H22N2O2S/c1-10(2)9-17-15(18)11(3)19-13-6-4-12(5-7-13)8-14(16)20/h4-7,10-11H,8-9H2,1-3H3,(H2,16,20)(H,17,18)
InChIKeyMWBIBGWVLLQANT-UHFFFAOYSA-N
XLogP2.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.05
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

2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 43116983
2-(4-ethylphenoxy)-N-(2-methylpropyl)propanamide
CID 60675159
2-(4-methylphenoxy)-N-(2-methylpropyl)propanamide
CID 53282928
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
2-(4-formylphenoxy)-N-(2-methylpropyl)propanamide
CID 43086482
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
(2R)-2-(7-methoxynaphthalen-2-yl)oxy-N-(2-methylpropyl)propanamide
CID 8949326
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate
CID 8855622
2-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]propanamide
CID 4221032

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide (CID 43116981) is 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)Oc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide?
The InChIKey is MWBIBGWVLLQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-10(2)9-17-15(18)11(3)19-13-6-4-12(5-7-13)8-14(16)20/h4-7,10-11H,8-9H2,1-3H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide?
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide has a molecular weight of 294.42 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 43116981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).