N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide

C17H18F3NO2S — CID 72717946

IUPACN-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOC(CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C17H18F3NO2S/c1-23-15(13-8-9-24-11-13)10-21-16(22)7-4-12-2-5-14(6-3-12)17(18,19)20/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3,(H,21,22)
InChIKeyGTDUOWZWWUDYFK-UHFFFAOYSA-N
MW357.40 g/mol
LogP4.20
Rot. Bonds7

About N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide

N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 72717946) has the molecular formula C17H18F3NO2S and a molecular weight of 357.40 g/mol. Its IUPAC name is N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID72717946
Molecular FormulaC17H18F3NO2S
Molecular Weight357.40 g/mol
Exact Mass357.10
IUPAC NameN-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOC(CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccsc1
InChIInChI=1S/C17H18F3NO2S/c1-23-15(13-8-9-24-11-13)10-21-16(22)7-4-12-2-5-14(6-3-12)17(18,19)20/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3,(H,21,22)
InChIKeyGTDUOWZWWUDYFK-UHFFFAOYSA-N
XLogP4.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-(Thiophen-2-yl)cyclopentyl)(2-(4-(trifluoromethyl)phenyl)morpholino)methanone
CID 56763890
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1-(thiophen-2-yl)cyclopentanecarboxamide
CID 56765456
2-(4-fluorophenyl)-N-[2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 71781674
2-Fluoro-N-[2-methoxy-2-(thiophen-3-YL)ethyl]benzamide
CID 71804735
N-[2-Methoxy-2-(5-methylthiophen-2-YL)ethyl]-2-(trifluoromethyl)benzamide
CID 71810358
2-(2-chloro-6-fluorophenyl)-N-[2-methoxy-2-(thiophen-3-yl)ethyl]acetamide
CID 72717940
N-(2-hydroxy-2-(thiophen-2-yl)ethyl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 76147816
N-[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl]o-fluorobenzamide
CID 97417380
N-[(S)-2-methoxy-2-(5-methyl-2-thienyl)ethyl]3-(o-fluorophenyl)propionamide
CID 97417492
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl](3-thienyl)acetamide
CID 97428418
N-[(R)-2-methoxy-2-(3-thienyl)ethyl]1-(p-fluorophenyl)cyclopropanecarboxamide
CID 97551115
N-[(R)-2-(m-fluorophenyl)-2-methoxyethyl]-4-methyl-2-thenamide
CID 97553345

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 72717946) is N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide is COC(CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccsc1.
What is the InChIKey of N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GTDUOWZWWUDYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2S/c1-23-15(13-8-9-24-11-13)10-21-16(22)7-4-12-2-5-14(6-3-12)17(18,19)20/h2-3,5-6,8-9,11,15H,4,7,10H2,1H3,(H,21,22).
What are the key properties of N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 357.40 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-thiophen-3-ylethyl)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 72717946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).