2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

C14H12F3NOS2 — CID 3378077

IUPAC2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1cccs1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3NOS2/c15-14(16,17)11-5-1-2-6-12(11)18-13(19)9-20-8-10-4-3-7-21-10/h1-7H,8-9H2,(H,18,19)
InChIKeyIMMXJCYCRQRNPD-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.64
Rot. Bonds5

About 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 3378077) has the molecular formula C14H12F3NOS2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID3378077
Molecular FormulaC14H12F3NOS2
Molecular Weight331.38 g/mol
Exact Mass331.03
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CSCc1cccs1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H12F3NOS2/c15-14(16,17)11-5-1-2-6-12(11)18-13(19)9-20-8-10-4-3-7-21-10/h1-7H,8-9H2,(H,18,19)
InChIKeyIMMXJCYCRQRNPD-UHFFFAOYSA-N
XLogP4.64
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 ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 2-thiophen-2-ylacetate
CID 55418017
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43358114
2-[(2,3-difluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26635770
N-(3-chloro-2-methylphenyl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 8574853
3-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740347
2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 100501688
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22780441
5-fluoro-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]benzoic acid
CID 43359635
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(thiophene-2-carbonylamino)acetate
CID 2478990
2-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 46575785
5-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]thiophene-2-carboxylic acid
CID 43474533

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 3378077) is 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CSCc1cccs1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is IMMXJCYCRQRNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NOS2/c15-14(16,17)11-5-1-2-6-12(11)18-13(19)9-20-8-10-4-3-7-21-10/h1-7H,8-9H2,(H,18,19).
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3378077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).