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

C16H18FN3O2S — CID 4882176

IUPACN-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C16H18FN3O2S/c1-20(10-14-3-2-8-23-14)11-16(22)18-9-15(21)19-13-6-4-12(17)5-7-13/h2-8H,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyWDXPHQCGUNGBRM-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.07
Rot. Bonds7

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

N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide (PubChem CID 4882176) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
PubChem CID4882176
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC NameN-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide
SMILESCN(CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C16H18FN3O2S/c1-20(10-14-3-2-8-23-14)11-16(22)18-9-15(21)19-13-6-4-12(17)5-7-13/h2-8H,9-11H2,1H3,(H,18,22)(H,19,21)
InChIKeyWDXPHQCGUNGBRM-UHFFFAOYSA-N
XLogP2.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]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)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide (CID 4882176) is N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide is CN(CC(=O)NCC(=O)Nc1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide?
The InChIKey is WDXPHQCGUNGBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c1-20(10-14-3-2-8-23-14)11-16(22)18-9-15(21)19-13-6-4-12(17)5-7-13/h2-8H,9-11H2,1H3,(H,18,22)(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[2-[methyl(thiophen-2-ylmethyl)amino]acetyl]amino]acetamide is sourced from PubChem (CID 4882176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).