N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide

C13H20N2O2S — CID 102611713

IUPACN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1cc(CNC(=O)COC2(C)CNC2)sc1C
InChIInChI=1S/C13H20N2O2S/c1-9-4-11(18-10(9)2)5-15-12(16)6-17-13(3)7-14-8-13/h4,14H,5-8H2,1-3H3,(H,15,16)
InChIKeyZVTRIROZMZTDKO-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.36
Rot. Bonds5

About N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide

N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide (PubChem CID 102611713) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide
PubChem CID102611713
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide
SMILESCc1cc(CNC(=O)COC2(C)CNC2)sc1C
InChIInChI=1S/C13H20N2O2S/c1-9-4-11(18-10(9)2)5-15-12(16)6-17-13(3)7-14-8-13/h4,14H,5-8H2,1-3H3,(H,15,16)
InChIKeyZVTRIROZMZTDKO-UHFFFAOYSA-N
XLogP1.36
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The IUPAC name of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide (CID 102611713) is N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide.
What is the SMILES notation for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The canonical SMILES for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide is Cc1cc(CNC(=O)COC2(C)CNC2)sc1C.
What is the InChIKey of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
The InChIKey is ZVTRIROZMZTDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9-4-11(18-10(9)2)5-15-12(16)6-17-13(3)7-14-8-13/h4,14H,5-8H2,1-3H3,(H,15,16).
What are the key properties of N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide?
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide has a molecular weight of 268.38 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(3-methylazetidin-3-yl)oxyacetamide is sourced from PubChem (CID 102611713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).