N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

C15H22N2O2S — CID 66420085

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CC1CSCCN1
InChIInChI=1S/C15H22N2O2S/c1-17(10-12-5-3-4-6-14(12)19-2)15(18)9-13-11-20-8-7-16-13/h3-6,13,16H,7-11H2,1-2H3
InChIKeyKRGLMDPIMYPTQU-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.75
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide

N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (PubChem CID 66420085) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
PubChem CID66420085
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccccc1CN(C)C(=O)CC1CSCCN1
InChIInChI=1S/C15H22N2O2S/c1-17(10-12-5-3-4-6-14(12)19-2)15(18)9-13-11-20-8-7-16-13/h3-6,13,16H,7-11H2,1-2H3
InChIKeyKRGLMDPIMYPTQU-UHFFFAOYSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2-methoxyphenyl)methyl]-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-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935259
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935303
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936476
N-[(2-fluorophenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66422615
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937075
N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119940858
N-(1-benzothiophen-3-ylmethyl)-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119936231
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 66421859
N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935731
2-(azetidin-3-yl)-N-[(2-methoxyphenyl)methyl]-N-methylacetamide
CID 64610785
N-[2-(2-methoxyphenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935441
N-methyl-N-[(3-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66421258

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide (CID 66420085) is N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is COc1ccccc1CN(C)C(=O)CC1CSCCN1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
The InChIKey is KRGLMDPIMYPTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-17(10-12-5-3-4-6-14(12)19-2)15(18)9-13-11-20-8-7-16-13/h3-6,13,16H,7-11H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide?
N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide has a molecular weight of 294.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 66420085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).