N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide

C14H19F3N2O3S2 — CID 2801233

IUPACN-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESCCSCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2O3S2/c1-4-23-8-7-18-12(20)13(2,3)24(21,22)11-6-5-10(9-19-11)14(15,16)17/h5-6,9H,4,7-8H2,1-3H3,(H,18,20)
InChIKeyAZFBZCVRIKDEDG-UHFFFAOYSA-N
MW384.45 g/mol
LogP2.52
Rot. Bonds7

About N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide

N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (PubChem CID 2801233) has the molecular formula C14H19F3N2O3S2 and a molecular weight of 384.45 g/mol. Its IUPAC name is N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.

Molecular Properties

Compound NameN-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
PubChem CID2801233
Molecular FormulaC14H19F3N2O3S2
Molecular Weight384.45 g/mol
Exact Mass384.08
IUPAC NameN-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
SMILESCCSCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H19F3N2O3S2/c1-4-23-8-7-18-12(20)13(2,3)24(21,22)11-6-5-10(9-19-11)14(15,16)17/h5-6,9H,4,7-8H2,1-3H3,(H,18,20)
InChIKeyAZFBZCVRIKDEDG-UHFFFAOYSA-N
XLogP2.52
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
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-(3-chlorophenyl)sulfanylethyl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 67991880
2-methyl-N-(3-phenylpropyl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 57388955
2-methyl-N-pyridin-3-yl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide
CID 59662666
N-[2-(2-chlorophenyl)sulfanylethyl]-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 67991867
methyl 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]acetate
CID 2800689
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanoic acid
CID 5101803
N-(2-ethylsulfanylethyl)-1-[4-(trifluoromethyl)phenyl]sulfonylcyclobutane-1-carboxamide
CID 53328573
2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one
CID 155522929
5-(trifluoromethyl)pyridine-2-sulfonic acid;hydrochloride
CID 174615079
1-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propan-1-one
CID 155539883
2-(butylsulfamoyl)-2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 68730839
2-methyl-N-[5-(trifluoromethyl)-2-pyridinyl]-2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]propanamide
CID 24855970

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The IUPAC name of N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide (CID 2801233) is N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide.
What is the SMILES notation for N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The canonical SMILES for N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is CCSCCNC(=O)C(C)(C)S(=O)(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
The InChIKey is AZFBZCVRIKDEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S2/c1-4-23-8-7-18-12(20)13(2,3)24(21,22)11-6-5-10(9-19-11)14(15,16)17/h5-6,9H,4,7-8H2,1-3H3,(H,18,20).
What are the key properties of N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide?
N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide has a molecular weight of 384.45 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylethyl)-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]propanamide is sourced from PubChem (CID 2801233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).