N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide

C16H21F3N2O3S — CID 119935157

IUPACN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)CC1CSCCN1
InChIInChI=1S/C16H21F3N2O3S/c1-23-5-6-24-14-3-2-11(16(17,18)19)8-13(14)21-15(22)9-12-10-25-7-4-20-12/h2-3,8,12,20H,4-7,9-10H2,1H3,(H,21,22)
InChIKeyAIQNSQKVOIFIFU-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.76
Rot. Bonds7

About N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119935157) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119935157
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC NameN-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOCCOc1ccc(C(F)(F)F)cc1NC(=O)CC1CSCCN1
InChIInChI=1S/C16H21F3N2O3S/c1-23-5-6-24-14-3-2-11(16(17,18)19)8-13(14)21-15(22)9-12-10-25-7-4-20-12/h2-3,8,12,20H,4-7,9-10H2,1H3,(H,21,22)
InChIKeyAIQNSQKVOIFIFU-UHFFFAOYSA-N
XLogP2.76
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.76
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-[2-chloro-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 66422398
N-[5-chloro-2-(2-ethoxyethoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938692
N-(4-fluoro-2-propoxyphenyl)-2-thiomorpholin-3-ylacetamide
CID 119940311
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119756535
2-thiomorpholin-3-yl-N-[2-(trifluoromethoxy)phenyl]acetamide
CID 66421203
3-(4-fluorophenyl)sulfanyl-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 112765270
N-[[2-(2-methoxyethoxy)-4-methylphenyl]methyl]-2-thiomorpholin-3-ylacetamide
CID 119940162
methyl 3-(difluoromethoxy)-4-[(2-thiomorpholin-3-ylacetyl)amino]benzoate
CID 119939096
2-(2-hydroxyphenyl)-N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]acetamide
CID 52847984

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119935157) is N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide is COCCOc1ccc(C(F)(F)F)cc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is AIQNSQKVOIFIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c1-23-5-6-24-14-3-2-11(16(17,18)19)8-13(14)21-15(22)9-12-10-25-7-4-20-12/h2-3,8,12,20H,4-7,9-10H2,1H3,(H,21,22).
What are the key properties of N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 378.42 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).