2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C17H13F3N2O2S — CID 4164690

IUPAC2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)24-12-7-5-11(6-8-12)22-16(23)10-25-15-9-21-14-4-2-1-3-13(14)15/h1-9,21H,10H2,(H,22,23)
InChIKeyFGDLDOCLQWRRLW-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.80
Rot. Bonds5

About 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 4164690) has the molecular formula C17H13F3N2O2S and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID4164690
Molecular FormulaC17H13F3N2O2S
Molecular Weight366.36 g/mol
Exact Mass366.06
IUPAC Name2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(CSc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13F3N2O2S/c18-17(19,20)24-12-7-5-11(6-8-12)22-16(23)10-25-15-9-21-14-4-2-1-3-13(14)15/h1-9,21H,10H2,(H,22,23)
InChIKeyFGDLDOCLQWRRLW-UHFFFAOYSA-N
XLogP4.80
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 3285131
2-[[5-(1H-indol-3-yl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4063940
2-[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2090352
4-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-quinoline-3-carboxamide
CID 39893097
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 4-(1H-indol-3-yl)butanoate
CID 3422352
3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole
CID 102584538
N,N-diethyl-2-[3-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]sulfanylindol-1-yl]acetamide
CID 27637919
N-(2,4-difluorophenyl)-2-(1H-indol-3-ylsulfanyl)acetamide
CID 4608475
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46633568
2-(2H-triazol-4-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 71296686
3-(2-fluorophenyl)sulfanyl-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 16567888
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 4164690) is 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(CSc1c[nH]c2ccccc12)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is FGDLDOCLQWRRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O2S/c18-17(19,20)24-12-7-5-11(6-8-12)22-16(23)10-25-15-9-21-14-4-2-1-3-13(14)15/h1-9,21H,10H2,(H,22,23).
What are the key properties of 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 366.36 g/mol, XLogP of 4.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 4164690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).