N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide

C17H26N2O3S — CID 119940162

IUPACN-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCOCCOc1cc(C)ccc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C17H26N2O3S/c1-13-3-4-14(16(9-13)22-7-6-21-2)11-19-17(20)10-15-12-23-8-5-18-15/h3-4,9,15,18H,5-8,10-12H2,1-2H3,(H,19,20)
InChIKeyLEVPYPUSMCGGHX-UHFFFAOYSA-N
MW338.47 g/mol
LogP1.73
Rot. Bonds8

About N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide

N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940162) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940162
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC NameN-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide
SMILESCOCCOc1cc(C)ccc1CNC(=O)CC1CSCCN1
InChIInChI=1S/C17H26N2O3S/c1-13-3-4-14(16(9-13)22-7-6-21-2)11-19-17(20)10-15-12-23-8-5-18-15/h3-4,9,15,18H,5-8,10-12H2,1-2H3,(H,19,20)
InChIKeyLEVPYPUSMCGGHX-UHFFFAOYSA-N
XLogP1.73
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940167
N-[(4-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 66422601
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-[(2-cyclopentyloxy-4-methoxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939815
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
N-[3-(2-methylphenoxy)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938657
N-[[3-(methoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936585
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119935157
N-[(3-methyl-4-pyridinyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 114700218
N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935910
N-[(2-cyclopentyloxyphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 119936439
N-[[2-(propoxymethyl)phenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119937162

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide (CID 119940162) is N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide is COCCOc1cc(C)ccc1CNC(=O)CC1CSCCN1.
What is the InChIKey of N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is LEVPYPUSMCGGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13-3-4-14(16(9-13)22-7-6-21-2)11-19-17(20)10-15-12-23-8-5-18-15/h3-4,9,15,18H,5-8,10-12H2,1-2H3,(H,19,20).
What are the key properties of N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide?
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 338.47 g/mol, XLogP of 1.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).