2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

C13H12F3N3OS — CID 3141765

IUPAC2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3OS/c1-19-6-5-17-12(19)21-8-11(20)18-10-4-2-3-9(7-10)13(14,15)16/h2-7H,8H2,1H3,(H,18,20)
InChIKeyYEFOORYYETXYLM-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.17
Rot. Bonds4

About 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide

2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3141765) has the molecular formula C13H12F3N3OS and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3141765
Molecular FormulaC13H12F3N3OS
Molecular Weight315.32 g/mol
Exact Mass315.07
IUPAC Name2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3N3OS/c1-19-6-5-17-12(19)21-8-11(20)18-10-4-2-3-9(7-10)13(14,15)16/h2-7H,8H2,1H3,(H,18,20)
InChIKeyYEFOORYYETXYLM-UHFFFAOYSA-N
XLogP3.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 3141765) is 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is Cn1ccnc1SCC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YEFOORYYETXYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS/c1-19-6-5-17-12(19)21-8-11(20)18-10-4-2-3-9(7-10)13(14,15)16/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 315.32 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3141765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).