N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide

C15H21FN2O2S — CID 97109015

IUPACN-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
SMILESCN(CCOc1cccc(F)c1)C(=O)C[C@@H]1CSCCN1
InChIInChI=1S/C15H21FN2O2S/c1-18(15(19)10-13-11-21-8-5-17-13)6-7-20-14-4-2-3-12(16)9-14/h2-4,9,13,17H,5-8,10-11H2,1H3/t13-/m1/s1
InChIKeyGZNPVHOKJHXEGB-CYBMUJFWSA-N
MW312.41 g/mol
LogP1.76
Rot. Bonds6

About N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide

N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide (PubChem CID 97109015) has the molecular formula C15H21FN2O2S and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
PubChem CID97109015
Molecular FormulaC15H21FN2O2S
Molecular Weight312.41 g/mol
Exact Mass312.13
IUPAC NameN-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide
SMILESCN(CCOc1cccc(F)c1)C(=O)C[C@@H]1CSCCN1
InChIInChI=1S/C15H21FN2O2S/c1-18(15(19)10-13-11-21-8-5-17-13)6-7-20-14-4-2-3-12(16)9-14/h2-4,9,13,17H,5-8,10-11H2,1H3/t13-/m1/s1
InChIKeyGZNPVHOKJHXEGB-CYBMUJFWSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-phenoxyethyl)-2-thiomorpholin-3-ylacetamide
CID 66421054
N-[3-(3-chlorophenoxy)propyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937371
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935731
3-[(3-fluorophenoxy)methyl]thiomorpholine
CID 82287984
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941065
N-[[3-(difluoromethoxy)phenyl]methyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99850140
2-(cyclopropylamino)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 54872660
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119695325
2-(1-aminocyclopentyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 64679568
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide?
The IUPAC name of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide (CID 97109015) is N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide.
What is the SMILES notation for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide?
The canonical SMILES for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide is CN(CCOc1cccc(F)c1)C(=O)C[C@@H]1CSCCN1.
What is the InChIKey of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide?
The InChIKey is GZNPVHOKJHXEGB-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21FN2O2S/c1-18(15(19)10-13-11-21-8-5-17-13)6-7-20-14-4-2-3-12(16)9-14/h2-4,9,13,17H,5-8,10-11H2,1H3/t13-/m1/s1.
What are the key properties of N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide?
N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide has a molecular weight of 312.41 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenoxy)ethyl]-N-methyl-2-[(3R)-thiomorpholin-3-yl]acetamide is sourced from PubChem (CID 97109015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).