N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide

C13H17FN2OS — CID 80585441

IUPACN-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCS1)Nc1ccccc1F
InChIInChI=1S/C13H17FN2OS/c14-11-5-1-2-6-12(11)16-13(17)9-15-8-10-4-3-7-18-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeyKZLYGPYWUWWPBD-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.25
Rot. Bonds5

About N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide

N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide (PubChem CID 80585441) has the molecular formula C13H17FN2OS and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
PubChem CID80585441
Molecular FormulaC13H17FN2OS
Molecular Weight268.36 g/mol
Exact Mass268.10
IUPAC NameN-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
SMILESO=C(CNCC1CCCS1)Nc1ccccc1F
InChIInChI=1S/C13H17FN2OS/c14-11-5-1-2-6-12(11)16-13(17)9-15-8-10-4-3-7-18-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17)
InChIKeyKZLYGPYWUWWPBD-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80585451
2-(cyclohexylmethylamino)-N-(2-fluorophenyl)acetamide
CID 43215446
N-(3-bromophenyl)-2-(thiolan-2-ylmethylamino)acetamide
CID 80584752
N-(2,6-dichlorophenyl)-2-(thian-2-ylmethylamino)acetamide
CID 80600328
2-(2-cyclohexylethylamino)-N-(2-fluorophenyl)acetamide
CID 60921066
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylamino)-N-(2-fluorophenyl)acetamide
CID 66396783
2-[(1-ethylpyrrolidin-3-yl)methylamino]-N-(2-fluorophenyl)acetamide
CID 60856711
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-(2-fluorophenyl)acetamide
CID 62977435
N-(2-fluorophenyl)thiane-2-carboxamide
CID 110858566
N-(2-fluorophenyl)-2-[2-(1-methylpiperidin-4-yl)ethylamino]acetamide
CID 114515633
2-(cyclopropylmethylamino)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 119676625

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide (CID 80585441) is N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide is O=C(CNCC1CCCS1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide?
The InChIKey is KZLYGPYWUWWPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2OS/c14-11-5-1-2-6-12(11)16-13(17)9-15-8-10-4-3-7-18-10/h1-2,5-6,10,15H,3-4,7-9H2,(H,16,17).
What are the key properties of N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide?
N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide has a molecular weight of 268.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(thiolan-2-ylmethylamino)acetamide is sourced from PubChem (CID 80585441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).