N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide

C17H19FN2OS — CID 134808923

IUPACN-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CN(Cc2ccc(-c3cccc(F)c3)s2)C1
InChIInChI=1S/C17H19FN2OS/c1-12(21)19-17(2)10-20(11-17)9-15-6-7-16(22-15)13-4-3-5-14(18)8-13/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyIPDAJLAARPITFV-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.26
Rot. Bonds4

About N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide

N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide (PubChem CID 134808923) has the molecular formula C17H19FN2OS and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide
PubChem CID134808923
Molecular FormulaC17H19FN2OS
Molecular Weight318.42 g/mol
Exact Mass318.12
IUPAC NameN-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide
SMILESCC(=O)NC1(C)CN(Cc2ccc(-c3cccc(F)c3)s2)C1
InChIInChI=1S/C17H19FN2OS/c1-12(21)19-17(2)10-20(11-17)9-15-6-7-16(22-15)13-4-3-5-14(18)8-13/h3-8H,9-11H2,1-2H3,(H,19,21)
InChIKeyIPDAJLAARPITFV-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide?
The IUPAC name of N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide (CID 134808923) is N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide?
The canonical SMILES for N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide is CC(=O)NC1(C)CN(Cc2ccc(-c3cccc(F)c3)s2)C1.
What is the InChIKey of N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide?
The InChIKey is IPDAJLAARPITFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2OS/c1-12(21)19-17(2)10-20(11-17)9-15-6-7-16(22-15)13-4-3-5-14(18)8-13/h3-8H,9-11H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide?
N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(3-fluorophenyl)thiophen-2-yl]methyl]-3-methylazetidin-3-yl]acetamide is sourced from PubChem (CID 134808923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).