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

C16H19FN2OS — CID 2608928

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C16H19FN2OS/c1-19(11-15-3-2-10-21-15)12-16(20)18-9-8-13-4-6-14(17)7-5-13/h2-7,10H,8-9,11-12H2,1H3,(H,18,20)
InChIKeySYJUOBFPYUERCA-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.68
Rot. Bonds7

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

N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (PubChem CID 2608928) has the molecular formula C16H19FN2OS and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
PubChem CID2608928
Molecular FormulaC16H19FN2OS
Molecular Weight306.41 g/mol
Exact Mass306.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
SMILESCN(CC(=O)NCCc1ccc(F)cc1)Cc1cccs1
InChIInChI=1S/C16H19FN2OS/c1-19(11-15-3-2-10-21-15)12-16(20)18-9-8-13-4-6-14(17)7-5-13/h2-7,10H,8-9,11-12H2,1H3,(H,18,20)
InChIKeySYJUOBFPYUERCA-UHFFFAOYSA-N
XLogP2.68
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide (CID 2608928) is N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is CN(CC(=O)NCCc1ccc(F)cc1)Cc1cccs1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
The InChIKey is SYJUOBFPYUERCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2OS/c1-19(11-15-3-2-10-21-15)12-16(20)18-9-8-13-4-6-14(17)7-5-13/h2-7,10H,8-9,11-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[methyl(thiophen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 2608928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).