N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide

C15H20F2N2OS — CID 66421653

IUPACN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)CC1CSCCN1
InChIInChI=1S/C15H20F2N2OS/c1-10(13-7-11(16)3-4-14(13)17)19(2)15(20)8-12-9-21-6-5-18-12/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3
InChIKeyDCRNVTPGNKGLFA-UHFFFAOYSA-N
MW314.40 g/mol
LogP2.58
Rot. Bonds4

About N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide

N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66421653) has the molecular formula C15H20F2N2OS and a molecular weight of 314.40 g/mol. Its IUPAC name is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID66421653
Molecular FormulaC15H20F2N2OS
Molecular Weight314.40 g/mol
Exact Mass314.13
IUPAC NameN-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCC(c1cc(F)ccc1F)N(C)C(=O)CC1CSCCN1
InChIInChI=1S/C15H20F2N2OS/c1-10(13-7-11(16)3-4-14(13)17)19(2)15(20)8-12-9-21-6-5-18-12/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3
InChIKeyDCRNVTPGNKGLFA-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide 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-[1-(4-fluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421451
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119717502
N-[(S)-(4-fluorophenyl)-pyrimidin-2-ylmethyl]-N-methyl-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 99815846
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 66422032
N-ethyl-N-(4-fluorophenyl)-2-thiomorpholin-3-ylacetamide
CID 66422087
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
2-(1-aminocyclobutyl)-N-[1-(2,5-difluorophenyl)ethyl]-N-methylacetamide
CID 79853913
N-(1-cyclopropylethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422211
N-methyl-N-pentan-3-yl-2-thiomorpholin-3-ylacetamide
CID 66422213
3-[1-(2,5-difluorophenyl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049111
N-methyl-2-thiomorpholin-3-yl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
CID 79494564
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939548

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide (CID 66421653) is N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide is CC(c1cc(F)ccc1F)N(C)C(=O)CC1CSCCN1.
What is the InChIKey of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is DCRNVTPGNKGLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2OS/c1-10(13-7-11(16)3-4-14(13)17)19(2)15(20)8-12-9-21-6-5-18-12/h3-4,7,10,12,18H,5-6,8-9H2,1-2H3.
What are the key properties of N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 314.40 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66421653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).