3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide

C12H17F2NO3S — CID 111463271

IUPAC3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1sccc1OC(F)F
InChIInChI=1S/C12H17F2NO3S/c1-3-12(17,4-2)7-15-10(16)9-8(5-6-19-9)18-11(13)14/h5-6,11,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyKAFCOKCKOZFKSJ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.63
Rot. Bonds7

About 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide

3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide (PubChem CID 111463271) has the molecular formula C12H17F2NO3S and a molecular weight of 293.33 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
PubChem CID111463271
Molecular FormulaC12H17F2NO3S
Molecular Weight293.33 g/mol
Exact Mass293.09
IUPAC Name3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide
SMILESCCC(O)(CC)CNC(=O)c1sccc1OC(F)F
InChIInChI=1S/C12H17F2NO3S/c1-3-12(17,4-2)7-15-10(16)9-8(5-6-19-9)18-11(13)14/h5-6,11,17H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyKAFCOKCKOZFKSJ-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethoxy)-N-(2-hydroxy-2-phenylpropyl)thiophene-2-carboxamide
CID 111519591
3-(difluoromethoxy)-N-[(2S)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]thiophene-2-carboxamide
CID 95905718
3-(difluoromethoxy)-N-[3-(methylamino)propyl]thiophene-2-carboxamide
CID 119434283
3-(difluoromethoxy)-N-(3-hydroxybutyl)thiophene-2-carboxamide
CID 111433716
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)-4-methoxybenzamide
CID 56807264
N-(2-ethyl-2-hydroxybutyl)-3-phenylthiophene-2-carboxamide
CID 65112605
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119527319
N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 154578100
N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119621471
N-[2-(chloromethyl)-2-ethylbutyl]-3-methoxythiophene-2-carboxamide
CID 106253944
3-(difluoromethoxy)-N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 95901689
3-(difluoromethoxy)-N-(5-ethyl-1H-pyrazol-3-yl)thiophene-2-carboxamide
CID 71867365

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide (CID 111463271) is 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide is CCC(O)(CC)CNC(=O)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide?
The InChIKey is KAFCOKCKOZFKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO3S/c1-3-12(17,4-2)7-15-10(16)9-8(5-6-19-9)18-11(13)14/h5-6,11,17H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide?
3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-ethyl-2-hydroxybutyl)thiophene-2-carboxamide is sourced from PubChem (CID 111463271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).