N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide

C17H21FN2O2S — CID 4162855

IUPACN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCNCC(=O)N(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C17H21FN2O2S/c1-22-9-8-19-11-17(21)20(13-16-3-2-10-23-16)12-14-4-6-15(18)7-5-14/h2-7,10,19H,8-9,11-13H2,1H3
InChIKeyAEHYTQHJPFUSFA-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.65
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide

N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4162855) has the molecular formula C17H21FN2O2S and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4162855
Molecular FormulaC17H21FN2O2S
Molecular Weight336.43 g/mol
Exact Mass336.13
IUPAC NameN-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide
SMILESCOCCNCC(=O)N(Cc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C17H21FN2O2S/c1-22-9-8-19-11-17(21)20(13-16-3-2-10-23-16)12-14-4-6-15(18)7-5-14/h2-7,10,19H,8-9,11-13H2,1H3
InChIKeyAEHYTQHJPFUSFA-UHFFFAOYSA-N
XLogP2.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide 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 N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide (CID 4162855) is N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide is COCCNCC(=O)N(Cc1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is AEHYTQHJPFUSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2S/c1-22-9-8-19-11-17(21)20(13-16-3-2-10-23-16)12-14-4-6-15(18)7-5-14/h2-7,10,19H,8-9,11-13H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide?
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 336.43 g/mol, XLogP of 2.65, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4162855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).