1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide

C11H14N2O2S — CID 71785214

IUPAC1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2cccs2)C1
InChIInChI=1S/C11H14N2O2S/c1-8(14)13-6-9(7-13)11(15)12-5-10-3-2-4-16-10/h2-4,9H,5-7H2,1H3,(H,12,15)
InChIKeyYAPYZQQBFCUSKR-UHFFFAOYSA-N
MW238.31 g/mol
LogP0.84
Rot. Bonds3

About 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide

1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide (PubChem CID 71785214) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
PubChem CID71785214
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)NCc2cccs2)C1
InChIInChI=1S/C11H14N2O2S/c1-8(14)13-6-9(7-13)11(15)12-5-10-3-2-4-16-10/h2-4,9H,5-7H2,1H3,(H,12,15)
InChIKeyYAPYZQQBFCUSKR-UHFFFAOYSA-N
XLogP0.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide (CID 71785214) is 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide is CC(=O)N1CC(C(=O)NCc2cccs2)C1.
What is the InChIKey of 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide?
The InChIKey is YAPYZQQBFCUSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-8(14)13-6-9(7-13)11(15)12-5-10-3-2-4-16-10/h2-4,9H,5-7H2,1H3,(H,12,15).
What are the key properties of 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide?
1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide has a molecular weight of 238.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(thiophen-2-ylmethyl)azetidine-3-carboxamide is sourced from PubChem (CID 71785214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).