3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide

C12H11F2NO3S2 — CID 71867354

IUPAC3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1sccc1OC(F)F
InChIInChI=1S/C12H11F2NO3S2/c13-12(14)18-9-2-4-20-10(9)11(17)15-5-8(16)7-1-3-19-6-7/h1-4,6,8,12,16H,5H2,(H,15,17)
InChIKeyDKMDXEMCMSIKQJ-UHFFFAOYSA-N
MW319.35 g/mol
LogP2.87
Rot. Bonds6

About 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide

3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide (PubChem CID 71867354) has the molecular formula C12H11F2NO3S2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide
PubChem CID71867354
Molecular FormulaC12H11F2NO3S2
Molecular Weight319.35 g/mol
Exact Mass319.01
IUPAC Name3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide
SMILESO=C(NCC(O)c1ccsc1)c1sccc1OC(F)F
InChIInChI=1S/C12H11F2NO3S2/c13-12(14)18-9-2-4-20-10(9)11(17)15-5-8(16)7-1-3-19-6-7/h1-4,6,8,12,16H,5H2,(H,15,17)
InChIKeyDKMDXEMCMSIKQJ-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide (CID 71867354) is 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide is O=C(NCC(O)c1ccsc1)c1sccc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide?
The InChIKey is DKMDXEMCMSIKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO3S2/c13-12(14)18-9-2-4-20-10(9)11(17)15-5-8(16)7-1-3-19-6-7/h1-4,6,8,12,16H,5H2,(H,15,17).
What are the key properties of 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide?
3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide has a molecular weight of 319.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-hydroxy-2-thiophen-3-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 71867354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).