N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C20H17F3N4OS — CID 55329349

IUPACN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17F3N4OS/c21-20(22,23)18-7-8-27(26-18)12-19(28)25-11-15(17-6-3-9-29-17)14-10-24-16-5-2-1-4-13(14)16/h1-10,15,24H,11-12H2,(H,25,28)
InChIKeyWADHLJNUZJSVQG-UHFFFAOYSA-N
MW418.44 g/mol
LogP4.39
Rot. Bonds6

About N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 55329349) has the molecular formula C20H17F3N4OS and a molecular weight of 418.44 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID55329349
Molecular FormulaC20H17F3N4OS
Molecular Weight418.44 g/mol
Exact Mass418.11
IUPAC NameN-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESO=C(Cn1ccc(C(F)(F)F)n1)NCC(c1cccs1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17F3N4OS/c21-20(22,23)18-7-8-27(26-18)12-19(28)25-11-15(17-6-3-9-29-17)14-10-24-16-5-2-1-4-13(14)16/h1-10,15,24H,11-12H2,(H,25,28)
InChIKeyWADHLJNUZJSVQG-UHFFFAOYSA-N
XLogP4.39
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 55329349) is N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1ccc(C(F)(F)F)n1)NCC(c1cccs1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is WADHLJNUZJSVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4OS/c21-20(22,23)18-7-8-27(26-18)12-19(28)25-11-15(17-6-3-9-29-17)14-10-24-16-5-2-1-4-13(14)16/h1-10,15,24H,11-12H2,(H,25,28).
What are the key properties of N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 418.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 55329349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).