N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide

C22H19F3N2OS — CID 18577693

IUPACN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2OS/c23-22(24,25)17-7-3-6-16(13-17)21(28)26-14-19(20-9-4-12-29-20)27-11-10-15-5-1-2-8-18(15)27/h1-9,12-13,19H,10-11,14H2,(H,26,28)
InChIKeyUSADDEPCLZWQGL-UHFFFAOYSA-N
MW416.47 g/mol
LogP5.30
Rot. Bonds5

About N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide

N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide (PubChem CID 18577693) has the molecular formula C22H19F3N2OS and a molecular weight of 416.47 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
PubChem CID18577693
Molecular FormulaC22H19F3N2OS
Molecular Weight416.47 g/mol
Exact Mass416.12
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide
SMILESO=C(NCC(c1cccs1)N1CCc2ccccc21)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H19F3N2OS/c23-22(24,25)17-7-3-6-16(13-17)21(28)26-14-19(20-9-4-12-29-20)27-11-10-15-5-1-2-8-18(15)27/h1-9,12-13,19H,10-11,14H2,(H,26,28)
InChIKeyUSADDEPCLZWQGL-UHFFFAOYSA-N
XLogP5.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.47
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 18577709
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide
CID 16832817
4-chloro-N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]benzamide
CID 7179316
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 41180956
N-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-4-ethoxybenzamide
CID 41180955
1-tert-butyl-3-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]urea
CID 7179244
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-methyloxamide
CID 41181013
N'-[(2S)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N-(2-hydroxyethyl)oxamide
CID 7179412
3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)benzamide
CID 112765111
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-2,4-dimethoxybenzamide
CID 8613496
N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-N'-(2,6-dimethylphenyl)oxamide
CID 7179544
N'-(3-chlorophenyl)-N-[(2R)-2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]oxamide
CID 41181024

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide (CID 18577693) is N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide is O=C(NCC(c1cccs1)N1CCc2ccccc21)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide?
The InChIKey is USADDEPCLZWQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2OS/c23-22(24,25)17-7-3-6-16(13-17)21(28)26-14-19(20-9-4-12-29-20)27-11-10-15-5-1-2-8-18(15)27/h1-9,12-13,19H,10-11,14H2,(H,26,28).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide?
N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide has a molecular weight of 416.47 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)-2-thiophen-2-ylethyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 18577693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).