2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide

C14H20N2O2S — CID 66290707

IUPAC2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(CSCC1CNC1)NCCOc1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-14(11-19-10-12-8-15-9-12)16-6-7-18-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17)
InChIKeyGREQDJDCRKBVDG-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.13
Rot. Bonds8

About 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide

2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide (PubChem CID 66290707) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
PubChem CID66290707
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC Name2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
SMILESO=C(CSCC1CNC1)NCCOc1ccccc1
InChIInChI=1S/C14H20N2O2S/c17-14(11-19-10-12-8-15-9-12)16-6-7-18-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17)
InChIKeyGREQDJDCRKBVDG-UHFFFAOYSA-N
XLogP1.13
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-yl)-N-(2-phenoxyethyl)acetamide
CID 64609991
2-benzylsulfanyl-N-(2-phenoxyethyl)acetamide
CID 30349604
3-(2-phenoxyethylsulfanylmethyl)azetidine
CID 66289679
2-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 120663762
N-(3-phenoxypropyl)-2-piperidin-4-ylsulfanylacetamide
CID 114627443
N-(2-phenoxyethyl)-3-piperidin-4-ylpropanamide
CID 62211306
2-(azetidin-3-ylmethylsulfanyl)-N-(3-propan-2-yloxypropyl)acetamide
CID 66290307
2-(naphthalen-1-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide
CID 60542543
2-(cyclopropylmethylamino)-N-(3-phenoxypropyl)acetamide
CID 62380963
N-[2-(4-benzylphenoxy)ethyl]-2-pyrrolidin-3-ylacetamide
CID 67648354
2-(2-phenoxyethoxy)-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 119533647
3-methylsulfanyl-N-(2-phenoxyethyl)propanamide
CID 112794610

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide?
The IUPAC name of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide (CID 66290707) is 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide.
What is the SMILES notation for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide?
The canonical SMILES for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide is O=C(CSCC1CNC1)NCCOc1ccccc1.
What is the InChIKey of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide?
The InChIKey is GREQDJDCRKBVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c17-14(11-19-10-12-8-15-9-12)16-6-7-18-13-4-2-1-3-5-13/h1-5,12,15H,6-11H2,(H,16,17).
What are the key properties of 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide?
2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide has a molecular weight of 280.39 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylmethylsulfanyl)-N-(2-phenoxyethyl)acetamide is sourced from PubChem (CID 66290707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).