2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide

C11H15ClN2OS — CID 116678035

IUPAC2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)s1)C1CNC1
InChIInChI=1S/C11H15ClN2OS/c1-7(8-4-13-5-8)11(15)14-6-9-2-3-10(12)16-9/h2-3,7-8,13H,4-6H2,1H3,(H,14,15)
InChIKeyUSEJTETUPVSJKR-UHFFFAOYSA-N
MW258.77 g/mol
LogP1.87
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide

2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide (PubChem CID 116678035) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
PubChem CID116678035
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)s1)C1CNC1
InChIInChI=1S/C11H15ClN2OS/c1-7(8-4-13-5-8)11(15)14-6-9-2-3-10(12)16-9/h2-3,7-8,13H,4-6H2,1H3,(H,14,15)
InChIKeyUSEJTETUPVSJKR-UHFFFAOYSA-N
XLogP1.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-2-hydroxypropanamide
CID 115140641
N-[(5-chlorothiophen-2-yl)methyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119730060
N-[(5-chlorothiophen-2-yl)methyl]-2-(hydroxymethyl)-3-methylbutanamide
CID 115187291
2-(azetidin-3-yl)-N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethyl)propanamide
CID 116677059
4-[[2-(azetidin-3-yl)propanoylamino]methyl]benzoic acid
CID 116676938
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 116677866
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-3-methoxypropanamide
CID 81089217
3-amino-N-[(5-chlorothiophen-2-yl)methyl]-2-methoxypropanamide
CID 106112944
2-cyclopropyl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 79506363
2-(azetidin-3-yl)-N-(1,3-benzodioxol-5-ylmethyl)propanamide
CID 116677298
2-(5-chlorothiophen-2-yl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572587
N-[(5-chlorothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262263

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide (CID 116678035) is 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide is CC(C(=O)NCc1ccc(Cl)s1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide?
The InChIKey is USEJTETUPVSJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-7(8-4-13-5-8)11(15)14-6-9-2-3-10(12)16-9/h2-3,7-8,13H,4-6H2,1H3,(H,14,15).
What are the key properties of 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide?
2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide has a molecular weight of 258.77 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(5-chlorothiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 116678035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).