N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide

C13H16F3NO4S — CID 54449322

IUPACN-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCCOCN(C(=O)CS(C)=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO4S/c1-3-20-9-17(12(18)8-22(2)19)10-5-4-6-11(7-10)21-13(14,15)16/h4-7H,3,8-9H2,1-2H3
InChIKeyWTULBTUOLUUQDO-UHFFFAOYSA-N
MW339.34 g/mol
LogP2.29
Rot. Bonds7

About N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide

N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide (PubChem CID 54449322) has the molecular formula C13H16F3NO4S and a molecular weight of 339.34 g/mol. Its IUPAC name is N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide
PubChem CID54449322
Molecular FormulaC13H16F3NO4S
Molecular Weight339.34 g/mol
Exact Mass339.08
IUPAC NameN-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide
SMILESCCOCN(C(=O)CS(C)=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO4S/c1-3-20-9-17(12(18)8-22(2)19)10-5-4-6-11(7-10)21-13(14,15)16/h4-7H,3,8-9H2,1-2H3
InChIKeyWTULBTUOLUUQDO-UHFFFAOYSA-N
XLogP2.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3,3-dimethyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 18736042
N-pentan-3-yl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 142120433
tert-butyl 2-[N-(2-aminoacetyl)-3-(trifluoromethoxy)anilino]acetate
CID 19001931
N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 71106762
1-[(Z)-2-chlorobut-2-enyl]-1-[3-(trifluoromethoxy)phenyl]thiourea
CID 21480066
N-butan-2-yl-N-methyl-3-(trifluoromethoxy)aniline
CID 142120917
4-[N-methyl-3-(trifluoromethoxy)anilino]butanoic acid
CID 119135300
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-ol
CID 105096658
N-(3-cyanophenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 66848441
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
1-(3-ethoxyphenyl)-1-ethylurea
CID 3032085
ethyl 4-(trifluoromethoxy)-2-[3-(trifluoromethoxy)phenyl]benzoate
CID 134633502

Frequently Asked Questions

What is the IUPAC name of N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide (CID 54449322) is N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide is CCOCN(C(=O)CS(C)=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is WTULBTUOLUUQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO4S/c1-3-20-9-17(12(18)8-22(2)19)10-5-4-6-11(7-10)21-13(14,15)16/h4-7H,3,8-9H2,1-2H3.
What are the key properties of N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide?
N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 339.34 g/mol, XLogP of 2.29, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethoxymethyl)-2-methylsulfinyl-N-[3-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 54449322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).