2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide

C10H18F3NO4S — CID 126830091

IUPAC2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide
SMILESCCCCCOCC(=O)NCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-2-3-4-6-18-8-9(15)14-5-7-19(16,17)10(11,12)13/h2-8H2,1H3,(H,14,15)
InChIKeyJSCZWASPEHNORG-UHFFFAOYSA-N
MW305.32 g/mol
LogP1.24
Rot. Bonds9

About 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide

2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide (PubChem CID 126830091) has the molecular formula C10H18F3NO4S and a molecular weight of 305.32 g/mol. Its IUPAC name is 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide.

Molecular Properties

Compound Name2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide
PubChem CID126830091
Molecular FormulaC10H18F3NO4S
Molecular Weight305.32 g/mol
Exact Mass305.09
IUPAC Name2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide
SMILESCCCCCOCC(=O)NCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO4S/c1-2-3-4-6-18-8-9(15)14-5-7-19(16,17)10(11,12)13/h2-8H2,1H3,(H,14,15)
InChIKeyJSCZWASPEHNORG-UHFFFAOYSA-N
XLogP1.24
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-pentoxy-N-[2-(trifluoromethylsulfinyl)ethyl]acetamide
CID 126832070
2-[2-(methylamino)ethoxy]-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359453
2-(2-methylsulfanylethoxy)-N-[2-(2-methylsulfonylethoxy)ethyl]acetamide
CID 170359454
2-(2-propan-2-ylsulfanylethoxy)-N-[2-(2-propan-2-ylsulfonylethoxy)ethyl]acetamide
CID 176734976
N-(2-methylsulfonylethyl)-2-propan-2-yloxyacetamide
CID 48174360
N-(2-ethylsulfonylethyl)-2-propoxyacetamide
CID 60231291
2-ethoxy-N-(3-methylsulfonylpropyl)acetamide
CID 61381752
2-ethoxy-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 64120295
2-(2-aminoethoxy)-N-(3-methylsulfonylpropyl)acetamide
CID 79472829
2-[(2-methylpropan-2-yl)oxy]-N-(2-methylsulfonylethyl)acetamide
CID 112605102
N-[2-(N,S-dimethylsulfonimidoyl)ethyl]-2-pentoxyacetamide
CID 126833823

Frequently Asked Questions

What is the IUPAC name of 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide?
The IUPAC name of 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide (CID 126830091) is 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide.
What is the SMILES notation for 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide?
The canonical SMILES for 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide is CCCCCOCC(=O)NCCS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide?
The InChIKey is JSCZWASPEHNORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO4S/c1-2-3-4-6-18-8-9(15)14-5-7-19(16,17)10(11,12)13/h2-8H2,1H3,(H,14,15).
What are the key properties of 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide?
2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide has a molecular weight of 305.32 g/mol, XLogP of 1.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentoxy-N-[2-(trifluoromethylsulfonyl)ethyl]acetamide is sourced from PubChem (CID 126830091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).