3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

C11H12F3NOS — CID 10587617

IUPAC3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCSCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NOS/c1-17-7-6-10(16)15-9-4-2-8(3-5-9)11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeySAVXLINKDFESKA-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.40
Rot. Bonds4

About 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide

3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 10587617) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID10587617
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide
SMILESCSCCC(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3NOS/c1-17-7-6-10(16)15-9-4-2-8(3-5-9)11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16)
InChIKeySAVXLINKDFESKA-UHFFFAOYSA-N
XLogP3.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide (CID 10587617) is 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide is CSCCC(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is SAVXLINKDFESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c1-17-7-6-10(16)15-9-4-2-8(3-5-9)11(12,13)14/h2-5H,6-7H2,1H3,(H,15,16).
What are the key properties of 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide?
3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 263.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 10587617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).