2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

C13H16F3NO2S — CID 112765166

IUPAC2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CSC
InChIInChI=1S/C13H16F3NO2S/c1-3-6-19-11-5-4-9(13(14,15)16)7-10(11)17-12(18)8-20-2/h4-5,7H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyMJUNXSUFXNNYHX-UHFFFAOYSA-N
MW307.34 g/mol
LogP3.80
Rot. Bonds6

About 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide

2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 112765166) has the molecular formula C13H16F3NO2S and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID112765166
Molecular FormulaC13H16F3NO2S
Molecular Weight307.34 g/mol
Exact Mass307.09
IUPAC Name2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCCCOc1ccc(C(F)(F)F)cc1NC(=O)CSC
InChIInChI=1S/C13H16F3NO2S/c1-3-6-19-11-5-4-9(13(14,15)16)7-10(11)17-12(18)8-20-2/h4-5,7H,3,6,8H2,1-2H3,(H,17,18)
InChIKeyMJUNXSUFXNNYHX-UHFFFAOYSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 4656638
3,3-dimethyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 112765185
4-amino-N-[2-propoxy-5-(trifluoromethyl)phenyl]pentanamide;hydrochloride
CID 120558845
2-(4-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 8800716
2-(2-acetamidophenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7867264
2-methylsulfanyl-N-(2-propoxyphenyl)acetamide
CID 112793569
N-[2-propoxy-5-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 17398504
2-(2-formylphenoxy)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7762762
2-(5-nitro-2-oxo-1-pyridinyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 7467801
4-acetamido-N-[2-propoxy-5-(trifluoromethyl)phenyl]benzamide
CID 26175480
3-(phenylcarbamoylamino)-N-[2-propoxy-5-(trifluoromethyl)phenyl]propanamide
CID 55336790
2-(5-acetyl-2-methoxyphenyl)-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide
CID 16557123

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide (CID 112765166) is 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSC.
What is the InChIKey of 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MJUNXSUFXNNYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2S/c1-3-6-19-11-5-4-9(13(14,15)16)7-10(11)17-12(18)8-20-2/h4-5,7H,3,6,8H2,1-2H3,(H,17,18).
What are the key properties of 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide?
2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 307.34 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[2-propoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 112765166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).