N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C20H22F3NO2S — CID 71806746

IUPACN-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C20H22F3NO2S/c21-20(22,23)16-6-3-15(4-7-16)5-8-18(25)24-14-19(9-11-26-12-10-19)17-2-1-13-27-17/h1-4,6-7,13H,5,8-12,14H2,(H,24,25)
InChIKeyOBVLHEFEISEDJR-UHFFFAOYSA-N
MW397.46 g/mol
LogP4.56
Rot. Bonds6

About N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 71806746) has the molecular formula C20H22F3NO2S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID71806746
Molecular FormulaC20H22F3NO2S
Molecular Weight397.46 g/mol
Exact Mass397.13
IUPAC NameN-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)NCC1(c2cccs2)CCOCC1
InChIInChI=1S/C20H22F3NO2S/c21-20(22,23)16-6-3-15(4-7-16)5-8-18(25)24-14-19(9-11-26-12-10-19)17-2-1-13-27-17/h1-4,6-7,13H,5,8-12,14H2,(H,24,25)
InChIKeyOBVLHEFEISEDJR-UHFFFAOYSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-phenyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 71806730
N-[(4-phenylsulfanyloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 72717046
N-[(4-thiophen-2-yloxan-4-yl)methyl]thiophene-2-carboxamide
CID 30943585
N-[[1-[5-(1-hydroxyethyl)thiophen-2-yl]cyclopentyl]methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 91817506
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
2-(2-methoxyphenoxy)-N-[(4-thiophen-2-yloxan-4-yl)methyl]acetamide
CID 30943752
N-[(4-hydroxythian-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 111484990
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724
N-[(4-hydroxyoxan-4-yl)methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 111486161
N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-3-phenylpropanamide
CID 27448950
N-[(1-thiophen-2-ylcyclopropyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71796611
2-oxo-N-[(4-thiophen-2-yloxan-4-yl)methyl]imidazolidine-1-carboxamide
CID 71806744

Frequently Asked Questions

What is the IUPAC name of N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 71806746) is N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is O=C(CCc1ccc(C(F)(F)F)cc1)NCC1(c2cccs2)CCOCC1.
What is the InChIKey of N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is OBVLHEFEISEDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2S/c21-20(22,23)16-6-3-15(4-7-16)5-8-18(25)24-14-19(9-11-26-12-10-19)17-2-1-13-27-17/h1-4,6-7,13H,5,8-12,14H2,(H,24,25).
What are the key properties of N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 397.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiophen-2-yloxan-4-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 71806746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).