2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide

C14H10F3NOS — CID 107028637

IUPAC2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C14H10F3NOS/c15-9-6-11(16)14(17)12(7-9)18-13(19)5-8-1-3-10(20)4-2-8/h1-4,6-7,20H,5H2,(H,18,19)
InChIKeyZCAYPSXXSVFUNY-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.57
Rot. Bonds3

About 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide

2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide (PubChem CID 107028637) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide
PubChem CID107028637
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide
SMILESO=C(Cc1ccc(S)cc1)Nc1cc(F)cc(F)c1F
InChIInChI=1S/C14H10F3NOS/c15-9-6-11(16)14(17)12(7-9)18-13(19)5-8-1-3-10(20)4-2-8/h1-4,6-7,20H,5H2,(H,18,19)
InChIKeyZCAYPSXXSVFUNY-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dichloro-4-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107033961
2-(2-aminophenyl)-N-(2,3,5-trifluorophenyl)acetamide
CID 62810482
3-amino-3-sulfanylidene-N-(2,3,5-trifluorophenyl)propanamide
CID 62814231
N-(2,5-dichlorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107019725
2-bromo-5-sulfanyl-N-(2,3,5-trifluorophenyl)benzamide
CID 107028638
N-(4-fluoro-3-methylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107028667
N-(2,5-dimethylphenyl)-2-(4-sulfanylphenyl)acetamide
CID 107020877
2-(4-bromophenyl)-N-(2,4-difluorophenyl)acetamide
CID 884138
N-(2-bromo-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107604233
N-(2-chloro-6-fluorophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107036138
N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090
3-phenyl-2-sulfanyl-N-(2,3,5-trifluorophenyl)propanamide
CID 107028642

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide?
The IUPAC name of 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide (CID 107028637) is 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide.
What is the SMILES notation for 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide?
The canonical SMILES for 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide is O=C(Cc1ccc(S)cc1)Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide?
The InChIKey is ZCAYPSXXSVFUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-9-6-11(16)14(17)12(7-9)18-13(19)5-8-1-3-10(20)4-2-8/h1-4,6-7,20H,5H2,(H,18,19).
What are the key properties of 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide?
2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide has a molecular weight of 297.30 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfanylphenyl)-N-(2,3,5-trifluorophenyl)acetamide is sourced from PubChem (CID 107028637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).