2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

C14H12F3NOS2 — CID 38763023

IUPAC2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1cccs1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NOS2/c15-14(16,17)11-5-3-10(4-6-11)8-18-12(19)9-21-13-2-1-7-20-13/h1-7H,8-9H2,(H,18,19)
InChIKeyVYKCXBQDSYYIKO-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.18
Rot. Bonds5

About 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide

2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (PubChem CID 38763023) has the molecular formula C14H12F3NOS2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
PubChem CID38763023
Molecular FormulaC14H12F3NOS2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC Name2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
SMILESO=C(CSc1cccs1)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H12F3NOS2/c15-14(16,17)11-5-3-10(4-6-11)8-18-12(19)9-21-13-2-1-7-20-13/h1-7H,8-9H2,(H,18,19)
InChIKeyVYKCXBQDSYYIKO-UHFFFAOYSA-N
XLogP4.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 17494927
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 39978344
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylsulfanylacetamide
CID 54896479
N-(6-hydroxyhexyl)-2-thiophen-2-ylsulfanylacetamide
CID 103919645
(3R)-3-acetamido-3-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 41435480
3-amino-3-sulfanylidene-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 62880466
2-(thiophen-2-ylmethylsulfanyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24533628
N-(4-ethylphenyl)-2-thiophen-2-ylsulfanylacetamide
CID 23803925
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-phenylsulfanylacetamide
CID 11474857
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 35864916
N-[[4-(trifluoromethyl)phenyl]methyl]but-3-enamide
CID 59536949

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide (CID 38763023) is 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is O=C(CSc1cccs1)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
The InChIKey is VYKCXBQDSYYIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS2/c15-14(16,17)11-5-3-10(4-6-11)8-18-12(19)9-21-13-2-1-7-20-13/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide?
2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-2-ylsulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 38763023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).