2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide

C14H10F3NOS — CID 167825999

IUPAC2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide
SMILESO=C(CSc1ccccc1)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C14H10F3NOS/c15-9-6-11(16)14(12(17)7-9)18-13(19)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H,18,19)
InChIKeySWJDIUQEAJLMQG-UHFFFAOYSA-N
MW297.30 g/mol
LogP3.83
Rot. Bonds4

About 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide

2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide (PubChem CID 167825999) has the molecular formula C14H10F3NOS and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide
PubChem CID167825999
Molecular FormulaC14H10F3NOS
Molecular Weight297.30 g/mol
Exact Mass297.04
IUPAC Name2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide
SMILESO=C(CSc1ccccc1)Nc1c(F)cc(F)cc1F
InChIInChI=1S/C14H10F3NOS/c15-9-6-11(16)14(12(17)7-9)18-13(19)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H,18,19)
InChIKeySWJDIUQEAJLMQG-UHFFFAOYSA-N
XLogP3.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
N-(5-bromo-4-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 103274665
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
2-phenylsulfanylacetohydrazide
CID 7037418
N-(4-iodophenyl)-2-phenylsulfanylacetamide
CID 2889258
2-anilino-N-(2-bromo-4,6-difluorophenyl)acetamide
CID 60703391
N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712820
N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide
CID 71900557

Frequently Asked Questions

What is the IUPAC name of 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide?
The IUPAC name of 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide (CID 167825999) is 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide.
What is the SMILES notation for 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide?
The canonical SMILES for 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide is O=C(CSc1ccccc1)Nc1c(F)cc(F)cc1F.
What is the InChIKey of 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide?
The InChIKey is SWJDIUQEAJLMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NOS/c15-9-6-11(16)14(12(17)7-9)18-13(19)8-20-10-4-2-1-3-5-10/h1-7H,8H2,(H,18,19).
What are the key properties of 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide?
2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide has a molecular weight of 297.30 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide is sourced from PubChem (CID 167825999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).