3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide

C12H15F2NO3S — CID 95331806

IUPAC3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC[C@H]1CCCO1)c1sccc1OC(F)F
InChIInChI=1S/C12H15F2NO3S/c13-12(14)18-9-4-7-19-10(9)11(16)15-5-3-8-2-1-6-17-8/h4,7-8,12H,1-3,5-6H2,(H,15,16)/t8-/m1/s1
InChIKeyQLCWUWDRAQFBDY-MRVPVSSYSA-N
MW291.32 g/mol
LogP2.65
Rot. Bonds6

About 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide

3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide (PubChem CID 95331806) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
PubChem CID95331806
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCC[C@H]1CCCO1)c1sccc1OC(F)F
InChIInChI=1S/C12H15F2NO3S/c13-12(14)18-9-4-7-19-10(9)11(16)15-5-3-8-2-1-6-17-8/h4,7-8,12H,1-3,5-6H2,(H,15,16)/t8-/m1/s1
InChIKeyQLCWUWDRAQFBDY-MRVPVSSYSA-N
XLogP2.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(oxolan-2-yl)ethyl]thiophene-2-carboxamide
CID 61127532
N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119621471
N-[2-(oxan-2-yl)ethyl]thiophene-2-carboxamide
CID 103993193
N-[(1-aminocyclohexyl)methyl]-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 154578100
3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454350
methyl 3-[2-(oxolan-2-yl)ethylcarbamoyl]benzoate
CID 51086480
2-amino-N-[2-(oxolan-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 115286809
N-(2-amino-1-cyclopropylethyl)-3-(difluoromethoxy)thiophene-2-carboxamide;hydrochloride
CID 119617828
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
3-(difluoromethoxy)-N-[(1S,2R)-2-methoxycyclopentyl]thiophene-2-carboxamide
CID 124848819
N-[4-[2-[(2R)-oxolan-2-yl]ethylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 31400597
3-[[2-(difluoromethoxy)phenyl]methyl]-1-(oxolan-2-ylmethyl)-1-(thiophen-2-ylmethyl)urea
CID 87003192

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide (CID 95331806) is 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide is O=C(NCC[C@H]1CCCO1)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is QLCWUWDRAQFBDY-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-12(14)18-9-4-7-19-10(9)11(16)15-5-3-8-2-1-6-17-8/h4,7-8,12H,1-3,5-6H2,(H,15,16)/t8-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide?
3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 291.32 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[2-[(2R)-oxolan-2-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 95331806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).