N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide

C15H17F3N2O2S — CID 95330344

IUPACN-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCCc1ccc2c(c1)[C@@H](CCNC(=O)CSC(F)(F)F)C(=O)N2
InChIInChI=1S/C15H17F3N2O2S/c1-2-9-3-4-12-11(7-9)10(14(22)20-12)5-6-19-13(21)8-23-15(16,17)18/h3-4,7,10H,2,5-6,8H2,1H3,(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyTUBDAALUHOFKNS-SNVBAGLBSA-N
MW346.37 g/mol
LogP3.04
Rot. Bonds6

About N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide

N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide (PubChem CID 95330344) has the molecular formula C15H17F3N2O2S and a molecular weight of 346.37 g/mol. Its IUPAC name is N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
PubChem CID95330344
Molecular FormulaC15H17F3N2O2S
Molecular Weight346.37 g/mol
Exact Mass346.10
IUPAC NameN-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide
SMILESCCc1ccc2c(c1)[C@@H](CCNC(=O)CSC(F)(F)F)C(=O)N2
InChIInChI=1S/C15H17F3N2O2S/c1-2-9-3-4-12-11(7-9)10(14(22)20-12)5-6-19-13(21)8-23-15(16,17)18/h3-4,7,10H,2,5-6,8H2,1H3,(H,19,21)(H,20,22)/t10-/m1/s1
InChIKeyTUBDAALUHOFKNS-SNVBAGLBSA-N
XLogP3.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide?
The IUPAC name of N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide (CID 95330344) is N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide.
What is the SMILES notation for N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide?
The canonical SMILES for N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide is CCc1ccc2c(c1)[C@@H](CCNC(=O)CSC(F)(F)F)C(=O)N2.
What is the InChIKey of N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide?
The InChIKey is TUBDAALUHOFKNS-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17F3N2O2S/c1-2-9-3-4-12-11(7-9)10(14(22)20-12)5-6-19-13(21)8-23-15(16,17)18/h3-4,7,10H,2,5-6,8H2,1H3,(H,19,21)(H,20,22)/t10-/m1/s1.
What are the key properties of N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide?
N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide has a molecular weight of 346.37 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-5-ethyl-2-oxo-1,3-dihydroindol-3-yl]ethyl]-2-(trifluoromethylsulfanyl)acetamide is sourced from PubChem (CID 95330344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).