N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C17H16F3NOS — CID 4877543

IUPACN-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NOS/c1-12(13-6-3-2-4-7-13)21-16(22)11-23-15-9-5-8-14(10-15)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyRPROVBJKJBDBEV-UHFFFAOYSA-N
MW339.38 g/mol
LogP4.67
Rot. Bonds5

About N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 4877543) has the molecular formula C17H16F3NOS and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID4877543
Molecular FormulaC17H16F3NOS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC NameN-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCC(NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H16F3NOS/c1-12(13-6-3-2-4-7-13)21-16(22)11-23-15-9-5-8-14(10-15)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22)
InChIKeyRPROVBJKJBDBEV-UHFFFAOYSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 977302
N-(2-phenylethyl)-2-(phenylsulfanyl)propanamide
CID 2889783
N-(4-fluorobenzyl)-2-[(4-methylphenyl)thio]propanamide
CID 2977027
N-(4-fluorobenzyl)-2-[(4-methylbenzyl)thio]acetamide
CID 3332623
N-(4-methylbenzyl)-3-[(4-methylbenzyl)thio]propanamide
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CID 5045192

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 4877543) is N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CC(NC(=O)CSc1cccc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is RPROVBJKJBDBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NOS/c1-12(13-6-3-2-4-7-13)21-16(22)11-23-15-9-5-8-14(10-15)17(18,19)20/h2-10,12H,11H2,1H3,(H,21,22).
What are the key properties of N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 339.38 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 4877543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).