N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide

C12H15ClF3NO2S — CID 78874388

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H15ClF3NO2S/c1-3-17(6-9-4-5-10(13)20-9)11(18)8(2)19-7-12(14,15)16/h4-5,8H,3,6-7H2,1-2H3
InChIKeyFNDPJQQAOUMEHY-UHFFFAOYSA-N
MW329.77 g/mol
LogP3.72
Rot. Bonds6

About N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide

N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 78874388) has the molecular formula C12H15ClF3NO2S and a molecular weight of 329.77 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID78874388
Molecular FormulaC12H15ClF3NO2S
Molecular Weight329.77 g/mol
Exact Mass329.05
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN(Cc1ccc(Cl)s1)C(=O)C(C)OCC(F)(F)F
InChIInChI=1S/C12H15ClF3NO2S/c1-3-17(6-9-4-5-10(13)20-9)11(18)8(2)19-7-12(14,15)16/h4-5,8H,3,6-7H2,1-2H3
InChIKeyFNDPJQQAOUMEHY-UHFFFAOYSA-N
XLogP3.72
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.77
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide (CID 78874388) is N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide is CCN(Cc1ccc(Cl)s1)C(=O)C(C)OCC(F)(F)F.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is FNDPJQQAOUMEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3NO2S/c1-3-17(6-9-4-5-10(13)20-9)11(18)8(2)19-7-12(14,15)16/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide?
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 329.77 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 78874388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).