N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide

C18H20F3NO2S — CID 73167964

IUPACN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOCCN(Cc1ccsc1)C(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO2S/c1-24-10-9-22(12-15-8-11-25-13-15)17(23)7-4-14-2-5-16(6-3-14)18(19,20)21/h2-3,5-6,8,11,13H,4,7,9-10,12H2,1H3
InChIKeyMTBQNBZIIKYHIH-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.37
Rot. Bonds8

About N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide

N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 73167964) has the molecular formula C18H20F3NO2S and a molecular weight of 371.42 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID73167964
Molecular FormulaC18H20F3NO2S
Molecular Weight371.42 g/mol
Exact Mass371.12
IUPAC NameN-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOCCN(Cc1ccsc1)C(=O)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H20F3NO2S/c1-24-10-9-22(12-15-8-11-25-13-15)17(23)7-4-14-2-5-16(6-3-14)18(19,20)21/h2-3,5-6,8,11,13H,4,7,9-10,12H2,1H3
InChIKeyMTBQNBZIIKYHIH-UHFFFAOYSA-N
XLogP4.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
4-Thiophen-2-yl-1-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]butan-1-one
CID 89525771
N-Butyl-5-(3,4-difluorophenyl)-N-methyl-2-thiophenecarboxamide
CID 46082631
2-(4-fluorophenyl)-N-methyl-N-(1-thiophen-2-ylethyl)acetamide
CID 47014642
2-fluoro-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)benzamide
CID 49670496
2-((4-fluorophenyl)thio)-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)acetamide
CID 49676622
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 49676629
4-fluoro-N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)benzamide
CID 49716383
4-phenyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 49717051
4-propyl-N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 49717052
N-cyclopropyl-2-(4-fluorophenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 51055395

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide (CID 73167964) is N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide is COCCN(Cc1ccsc1)C(=O)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is MTBQNBZIIKYHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3NO2S/c1-24-10-9-22(12-15-8-11-25-13-15)17(23)7-4-14-2-5-16(6-3-14)18(19,20)21/h2-3,5-6,8,11,13H,4,7,9-10,12H2,1H3.
What are the key properties of N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide?
N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 371.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(thiophen-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 73167964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).