3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide

C16H18N4O2S — CID 89158355

IUPAC3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)Nc2cc(-c3cccs3)ccc2N)C1
InChIInChI=1S/C16H18N4O2S/c1-10(21)18-12-8-20(9-12)16(22)19-14-7-11(4-5-13(14)17)15-3-2-6-23-15/h2-7,12H,8-9,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyKQRSEUTXDPSJEV-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.35
Rot. Bonds3

About 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide

3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide (PubChem CID 89158355) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide
PubChem CID89158355
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide
SMILESCC(=O)NC1CN(C(=O)Nc2cc(-c3cccs3)ccc2N)C1
InChIInChI=1S/C16H18N4O2S/c1-10(21)18-12-8-20(9-12)16(22)19-14-7-11(4-5-13(14)17)15-3-2-6-23-15/h2-7,12H,8-9,17H2,1H3,(H,18,21)(H,19,22)
InChIKeyKQRSEUTXDPSJEV-UHFFFAOYSA-N
XLogP2.35
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-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 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide?
The IUPAC name of 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide (CID 89158355) is 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide.
What is the SMILES notation for 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide?
The canonical SMILES for 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide is CC(=O)NC1CN(C(=O)Nc2cc(-c3cccs3)ccc2N)C1.
What is the InChIKey of 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide?
The InChIKey is KQRSEUTXDPSJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-10(21)18-12-8-20(9-12)16(22)19-14-7-11(4-5-13(14)17)15-3-2-6-23-15/h2-7,12H,8-9,17H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide?
3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-amino-5-thiophen-2-ylphenyl)azetidine-1-carboxamide is sourced from PubChem (CID 89158355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).