N-(2-phenoxyethyl)-2-sulfanylpropanamide

C11H15NO2S — CID 107026809

IUPACN-(2-phenoxyethyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCCOc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-9(15)11(13)12-7-8-14-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,12,13)
InChIKeyTZPUFMPNGOACPG-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.50
Rot. Bonds5

About N-(2-phenoxyethyl)-2-sulfanylpropanamide

N-(2-phenoxyethyl)-2-sulfanylpropanamide (PubChem CID 107026809) has the molecular formula C11H15NO2S and a molecular weight of 225.31 g/mol. Its IUPAC name is N-(2-phenoxyethyl)-2-sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)-2-sulfanylpropanamide
PubChem CID107026809
Molecular FormulaC11H15NO2S
Molecular Weight225.31 g/mol
Exact Mass225.08
IUPAC NameN-(2-phenoxyethyl)-2-sulfanylpropanamide
SMILESCC(S)C(=O)NCCOc1ccccc1
InChIInChI=1S/C11H15NO2S/c1-9(15)11(13)12-7-8-14-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,12,13)
InChIKeyTZPUFMPNGOACPG-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-phenoxyethyl)propanamide
CID 82108617
2-amino-N-(2-phenoxyethyl)propanamide;hydrochloride
CID 119268582
2,3-diamino-N-(2-phenoxyethyl)propanamide
CID 59654100
3-methyl-N-(2-phenoxyethyl)-2-phenylpentanamide
CID 112794606
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
2-amino-3-methoxy-N-(2-phenoxyethyl)propanamide
CID 81089075
2-(azetidin-3-yl)-N-(2-phenoxyethyl)propanamide
CID 116677486
1,1-bis(2-methylpropyl)-3-(2-phenoxyethyl)urea
CID 108887104
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684
2-(2-ethylphenoxy)-N-(2-phenoxyethyl)propanamide
CID 133239770
2-(3-phenoxypropylamino)-N-propylpropanamide
CID 60695598
(2R)-3-methyl-2-(2-phenoxyethylcarbamoylamino)butanoic acid
CID 79009824

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)-2-sulfanylpropanamide?
The IUPAC name of N-(2-phenoxyethyl)-2-sulfanylpropanamide (CID 107026809) is N-(2-phenoxyethyl)-2-sulfanylpropanamide.
What is the SMILES notation for N-(2-phenoxyethyl)-2-sulfanylpropanamide?
The canonical SMILES for N-(2-phenoxyethyl)-2-sulfanylpropanamide is CC(S)C(=O)NCCOc1ccccc1.
What is the InChIKey of N-(2-phenoxyethyl)-2-sulfanylpropanamide?
The InChIKey is TZPUFMPNGOACPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2S/c1-9(15)11(13)12-7-8-14-10-5-3-2-4-6-10/h2-6,9,15H,7-8H2,1H3,(H,12,13).
What are the key properties of N-(2-phenoxyethyl)-2-sulfanylpropanamide?
N-(2-phenoxyethyl)-2-sulfanylpropanamide has a molecular weight of 225.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)-2-sulfanylpropanamide is sourced from PubChem (CID 107026809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).