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

C18H15F3N2OS — CID 3715457

IUPAC2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C18H15F3N2OS/c1-23-10-16(14-7-2-3-8-15(14)23)25-11-17(24)22-13-6-4-5-12(9-13)18(19,20)21/h2-10H,11H2,1H3,(H,22,24)
InChIKeyNUZVMZPGYRVQTL-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.93
Rot. Bonds4

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

2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 3715457) has the molecular formula C18H15F3N2OS and a molecular weight of 364.39 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID3715457
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCn1cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21
InChIInChI=1S/C18H15F3N2OS/c1-23-10-16(14-7-2-3-8-15(14)23)25-11-17(24)22-13-6-4-5-12(9-13)18(19,20)21/h2-10H,11H2,1H3,(H,22,24)
InChIKeyNUZVMZPGYRVQTL-UHFFFAOYSA-N
XLogP4.93
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20902590
2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 20856523
2-(1-ethylindol-3-yl)sulfanyl-N-phenylacetamide
CID 3325904
2-(3-propanoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1255387
2-(3-formylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 21380516
2-[4-(phenylcarbamoylamino)phenyl]sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 19712457
2-(3-benzoylindol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2974288
N-[2-[3-[2-(2,3-dimethylanilino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 5067210
4-(1-methyl-2-oxoquinolin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]butanamide
CID 20862014
2-quinolin-2-ylsulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1278675
N-(2,5-dimethoxyphenyl)-2-(1-methylindol-3-yl)sulfanylacetamide
CID 4064020
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7876426

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide (CID 3715457) is 2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is Cn1cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NUZVMZPGYRVQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c1-23-10-16(14-7-2-3-8-15(14)23)25-11-17(24)22-13-6-4-5-12(9-13)18(19,20)21/h2-10H,11H2,1H3,(H,22,24).
What are the key properties of 2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide?
2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 364.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)sulfanyl-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 3715457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).