2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide

C15H22N2O2S — CID 61489863

IUPAC2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H22N2O2S/c1-3-12(4-2)17-15(18)10-19-13-7-5-11(6-8-13)9-14(16)20/h5-8,12H,3-4,9-10H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyILSYEZJJCXOBBT-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.20
Rot. Bonds8

About 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide

2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide (PubChem CID 61489863) 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-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide
PubChem CID61489863
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC Name2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)COc1ccc(CC(N)=S)cc1
InChIInChI=1S/C15H22N2O2S/c1-3-12(4-2)17-15(18)10-19-13-7-5-11(6-8-13)9-14(16)20/h5-8,12H,3-4,9-10H2,1-2H3,(H2,16,20)(H,17,18)
InChIKeyILSYEZJJCXOBBT-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.20
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-(methylaminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61486986
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
2-(4-acetylphenoxy)-N-pentan-3-ylacetamide
CID 60625311
2-[4-(1-hydroxyethyl)phenoxy]-N-pentan-3-ylacetamide
CID 61489740
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-(4-methoxyphenoxy)acetate
CID 2590405
ethyl (2S)-2-[[2-[4-(2-amino-2-oxoethyl)phenoxy]acetyl]amino]propanoate
CID 95762944
2-[4-[1-(ethylamino)ethyl]phenoxy]-N-pentan-3-ylacetamide
CID 61486666
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700
2-[3-(aminomethyl)phenoxy]-N-pentan-3-ylacetamide
CID 55031831
3-[4-[2-oxo-2-(pentan-3-ylamino)ethoxy]phenyl]prop-2-enoic acid
CID 76905164
2-(4-ethylphenoxy)-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 94124569
2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-pentan-3-ylacetamide
CID 94140265

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide (CID 61489863) is 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)COc1ccc(CC(N)=S)cc1.
What is the InChIKey of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide?
The InChIKey is ILSYEZJJCXOBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-3-12(4-2)17-15(18)10-19-13-7-5-11(6-8-13)9-14(16)20/h5-8,12H,3-4,9-10H2,1-2H3,(H2,16,20)(H,17,18).
What are the key properties of 2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide?
2-[4-(2-amino-2-sulfanylideneethyl)phenoxy]-N-pentan-3-ylacetamide has a molecular weight of 294.42 g/mol, XLogP of 2.20, 8 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-pentan-3-ylacetamide is sourced from PubChem (CID 61489863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).