2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide

C13H18N2OS — CID 64611849

IUPAC2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
SMILESO=C(CC1CNC1)NC1CCCc2sccc21
InChIInChI=1S/C13H18N2OS/c16-13(6-9-7-14-8-9)15-11-2-1-3-12-10(11)4-5-17-12/h4-5,9,11,14H,1-3,6-8H2,(H,15,16)
InChIKeyBITPURMFHCTDFE-UHFFFAOYSA-N
MW250.37 g/mol
LogP1.85
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide

2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide (PubChem CID 64611849) has the molecular formula C13H18N2OS and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
PubChem CID64611849
Molecular FormulaC13H18N2OS
Molecular Weight250.37 g/mol
Exact Mass250.11
IUPAC Name2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
SMILESO=C(CC1CNC1)NC1CCCc2sccc21
InChIInChI=1S/C13H18N2OS/c16-13(6-9-7-14-8-9)15-11-2-1-3-12-10(11)4-5-17-12/h4-5,9,11,14H,1-3,6-8H2,(H,15,16)
InChIKeyBITPURMFHCTDFE-UHFFFAOYSA-N
XLogP1.85
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxo-4-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)butanoic acid
CID 62841859
2,2,2-trichloro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 13037002
2,2-difluoro-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide
CID 103515455
2-amino-2-methyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)propanamide
CID 62844385
N-ethyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)acetamide
CID 62841242
N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thiophene-2-carboxamide
CID 64593278
N-[(4S)-4,5,6,7-tetrahydro-1-benzothiophen-4-yl]but-2-ynamide
CID 125142184
1-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)triazole-4-carboxamide
CID 79318606
2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylamino)ethylurea
CID 83109887
propan-2-yl N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)carbamate
CID 116655659
2-hydroxy-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 55126711
4-bromo-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzamide
CID 62844058

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide (CID 64611849) is 2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide is O=C(CC1CNC1)NC1CCCc2sccc21.
What is the InChIKey of 2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide?
The InChIKey is BITPURMFHCTDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2OS/c16-13(6-9-7-14-8-9)15-11-2-1-3-12-10(11)4-5-17-12/h4-5,9,11,14H,1-3,6-8H2,(H,15,16).
What are the key properties of 2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide?
2-(azetidin-3-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide has a molecular weight of 250.37 g/mol, XLogP of 1.85, 3 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-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)acetamide is sourced from PubChem (CID 64611849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).