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

C14H20N2O3S — CID 43116983

IUPAC2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(CC(N)=S)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(14(17)16-7-8-18-2)19-12-5-3-11(4-6-12)9-13(15)20/h3-6,10H,7-9H2,1-2H3,(H2,15,20)(H,16,17)
InChIKeyWNJORPZZOBODSG-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.05
Rot. Bonds8

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

2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 43116983) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID43116983
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1ccc(CC(N)=S)cc1
InChIInChI=1S/C14H20N2O3S/c1-10(14(17)16-7-8-18-2)19-12-5-3-11(4-6-12)9-13(15)20/h3-6,10H,7-9H2,1-2H3,(H2,15,20)(H,16,17)
InChIKeyWNJORPZZOBODSG-UHFFFAOYSA-N
XLogP1.05
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methylpropyl)propanamide
CID 43116981
2-(4-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116881
2-[4-(2-hydroxypropyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 115495985
(2S)-N-(2-methoxyethyl)-2-phenoxypropanamide
CID 2162450
2-[4-(2-aminopropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60906628
2-(4-chlorophenoxy)-N-[2-[[2-(4-chlorophenyl)acetyl]amino]ethyl]propanamide
CID 108572718
2-(3-amino-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 103201194
(2S)-N-(2-methoxyethyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 8949228
2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116911
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
N-(3-methylbutyl)-2-[4-(2-oxopropyl)phenoxy]propanamide
CID 115495359
2-(4-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43083158

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide (CID 43116983) is 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is WNJORPZZOBODSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10(14(17)16-7-8-18-2)19-12-5-3-11(4-6-12)9-13(15)20/h3-6,10H,7-9H2,1-2H3,(H2,15,20)(H,16,17).
What are the key properties of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide?
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 296.39 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43116983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).