N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C16H14F3NOS — CID 2579184

IUPACN-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C16H14F3NOS/c17-16(18,19)13-7-4-8-14(9-13)22-11-15(21)20-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)
InChIKeyZRTRJXAYVPPVBD-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.11
Rot. Bonds5

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

N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2579184) has the molecular formula C16H14F3NOS and a molecular weight of 325.36 g/mol. Its IUPAC name is N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2579184
Molecular FormulaC16H14F3NOS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC NameN-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESO=C(CSc1cccc(C(F)(F)F)c1)NCc1ccccc1
InChIInChI=1S/C16H14F3NOS/c17-16(18,19)13-7-4-8-14(9-13)22-11-15(21)20-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21)
InChIKeyZRTRJXAYVPPVBD-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2579184) is N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is O=C(CSc1cccc(C(F)(F)F)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is ZRTRJXAYVPPVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c17-16(18,19)13-7-4-8-14(9-13)22-11-15(21)20-10-12-5-2-1-3-6-12/h1-9H,10-11H2,(H,20,21).
What are the key properties of N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 325.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2579184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).