N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide

C7H13F3N2OS — CID 116615399

IUPACN-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
SMILESCCNC(=O)CNCCSC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-2-12-6(13)5-11-3-4-14-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyMIYRAFGJXCBAFV-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.97
Rot. Bonds6

About N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide

N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide (PubChem CID 116615399) has the molecular formula C7H13F3N2OS and a molecular weight of 230.25 g/mol. Its IUPAC name is N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
PubChem CID116615399
Molecular FormulaC7H13F3N2OS
Molecular Weight230.25 g/mol
Exact Mass230.07
IUPAC NameN-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
SMILESCCNC(=O)CNCCSC(F)(F)F
InChIInChI=1S/C7H13F3N2OS/c1-2-12-6(13)5-11-3-4-14-7(8,9)10/h11H,2-5H2,1H3,(H,12,13)
InChIKeyMIYRAFGJXCBAFV-UHFFFAOYSA-N
XLogP0.97
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]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-ethyl-2-(3,3,3-trifluoropropylamino)acetamide
CID 60695542
2-(2-methoxyethylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide;hydrochloride
CID 119727737
N-ethyl-2-(5,5,5-trifluoropentylamino)acetamide
CID 115519146
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 114616982
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-cyclopentyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 114187749
propan-2-yl 2-[2-(trifluoromethylsulfanyl)ethylamino]acetate
CID 106429252
N-ethyl-2-(2-propoxyethylamino)acetamide
CID 106451657
N-ethyl-2-(pentylamino)acetamide
CID 28569032
3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43553568
N-ethyl-2-(2-methoxyethylamino)acetamide
CID 28565523
N-(2-methoxyphenyl)-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide
CID 106429534

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide?
The IUPAC name of N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide (CID 116615399) is N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide.
What is the SMILES notation for N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide?
The canonical SMILES for N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide is CCNC(=O)CNCCSC(F)(F)F.
What is the InChIKey of N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide?
The InChIKey is MIYRAFGJXCBAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2OS/c1-2-12-6(13)5-11-3-4-14-7(8,9)10/h11H,2-5H2,1H3,(H,12,13).
What are the key properties of N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide?
N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide has a molecular weight of 230.25 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-(trifluoromethylsulfanyl)ethylamino]acetamide is sourced from PubChem (CID 116615399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).