N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide

C13H16F2N2OS — CID 80585451

IUPACN-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCS1)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2OS/c14-10-4-1-5-11(15)13(10)17-12(18)8-16-7-9-3-2-6-19-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18)
InChIKeyRWAADOKMANXAKJ-UHFFFAOYSA-N
MW286.35 g/mol
LogP2.39
Rot. Bonds5

About N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide

N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide (PubChem CID 80585451) has the molecular formula C13H16F2N2OS and a molecular weight of 286.35 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
PubChem CID80585451
Molecular FormulaC13H16F2N2OS
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC NameN-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCS1)Nc1c(F)cccc1F
InChIInChI=1S/C13H16F2N2OS/c14-10-4-1-5-11(15)13(10)17-12(18)8-16-7-9-3-2-6-19-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18)
InChIKeyRWAADOKMANXAKJ-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide?
The IUPAC name of N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide (CID 80585451) is N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide is O=C(CNCC1CCCS1)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide?
The InChIKey is RWAADOKMANXAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2OS/c14-10-4-1-5-11(15)13(10)17-12(18)8-16-7-9-3-2-6-19-9/h1,4-5,9,16H,2-3,6-8H2,(H,17,18).
What are the key properties of N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide?
N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide has a molecular weight of 286.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 80585451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).