2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C22H15F3N2O2S — CID 1088997

IUPAC2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)16-7-2-3-8-17(16)26-20(28)13-27-12-15(14-6-1-4-9-18(14)27)21(29)19-10-5-11-30-19/h1-12H,13H2,(H,26,28)
InChIKeyLPTQOMHWLCYHAU-UHFFFAOYSA-N
MW428.44 g/mol
LogP5.59
Rot. Bonds5

About 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1088997) has the molecular formula C22H15F3N2O2S and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1088997
Molecular FormulaC22H15F3N2O2S
Molecular Weight428.44 g/mol
Exact Mass428.08
IUPAC Name2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H15F3N2O2S/c23-22(24,25)16-7-2-3-8-17(16)26-20(28)13-27-12-15(14-6-1-4-9-18(14)27)21(29)19-10-5-11-30-19/h1-12H,13H2,(H,26,28)
InChIKeyLPTQOMHWLCYHAU-UHFFFAOYSA-N
XLogP5.59
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.44
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1088997) is 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LPTQOMHWLCYHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2S/c23-22(24,25)16-7-2-3-8-17(16)26-20(28)13-27-12-15(14-6-1-4-9-18(14)27)21(29)19-10-5-11-30-19/h1-12H,13H2,(H,26,28).
What are the key properties of 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 428.44 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(thiophene-2-carbonyl)indol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1088997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).