3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide

C15H22F2N2O3S — CID 96547514

IUPAC3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCOCCN1CCC[C@@H]1CNC(=O)c1sc(C)cc1OC(F)F
InChIInChI=1S/C15H22F2N2O3S/c1-10-8-12(22-15(16)17)13(23-10)14(20)18-9-11-4-3-5-19(11)6-7-21-2/h8,11,15H,3-7,9H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyHJSYXGQIDDFFFF-LLVKDONJSA-N
MW348.42 g/mol
LogP2.50
Rot. Bonds8

About 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide

3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide (PubChem CID 96547514) has the molecular formula C15H22F2N2O3S and a molecular weight of 348.42 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide
PubChem CID96547514
Molecular FormulaC15H22F2N2O3S
Molecular Weight348.42 g/mol
Exact Mass348.13
IUPAC Name3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide
SMILESCOCCN1CCC[C@@H]1CNC(=O)c1sc(C)cc1OC(F)F
InChIInChI=1S/C15H22F2N2O3S/c1-10-8-12(22-15(16)17)13(23-10)14(20)18-9-11-4-3-5-19(11)6-7-21-2/h8,11,15H,3-7,9H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyHJSYXGQIDDFFFF-LLVKDONJSA-N
XLogP2.50
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide (CID 96547514) is 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide is COCCN1CCC[C@@H]1CNC(=O)c1sc(C)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
The InChIKey is HJSYXGQIDDFFFF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22F2N2O3S/c1-10-8-12(22-15(16)17)13(23-10)14(20)18-9-11-4-3-5-19(11)6-7-21-2/h8,11,15H,3-7,9H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide?
3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide has a molecular weight of 348.42 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 96547514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).