3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide

C19H16F2N2O4S — CID 86950057

IUPAC3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2sc(C)cc2OC(F)F)cc1
InChIInChI=1S/C19H16F2N2O4S/c1-11-10-15(27-19(20)21)16(28-11)17(24)23-14-4-3-9-22-18(14)26-13-7-5-12(25-2)6-8-13/h3-10,19H,1-2H3,(H,23,24)
InChIKeyWTYWHBQPRKNZJD-UHFFFAOYSA-N
MW406.41 g/mol
LogP5.11
Rot. Bonds7

About 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide

3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide (PubChem CID 86950057) has the molecular formula C19H16F2N2O4S and a molecular weight of 406.41 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide
PubChem CID86950057
Molecular FormulaC19H16F2N2O4S
Molecular Weight406.41 g/mol
Exact Mass406.08
IUPAC Name3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide
SMILESCOc1ccc(Oc2ncccc2NC(=O)c2sc(C)cc2OC(F)F)cc1
InChIInChI=1S/C19H16F2N2O4S/c1-11-10-15(27-19(20)21)16(28-11)17(24)23-14-4-3-9-22-18(14)26-13-7-5-12(25-2)6-8-13/h3-10,19H,1-2H3,(H,23,24)
InChIKeyWTYWHBQPRKNZJD-UHFFFAOYSA-N
XLogP5.11
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.41
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide (CID 86950057) is 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide is COc1ccc(Oc2ncccc2NC(=O)c2sc(C)cc2OC(F)F)cc1.
What is the InChIKey of 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide?
The InChIKey is WTYWHBQPRKNZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O4S/c1-11-10-15(27-19(20)21)16(28-11)17(24)23-14-4-3-9-22-18(14)26-13-7-5-12(25-2)6-8-13/h3-10,19H,1-2H3,(H,23,24).
What are the key properties of 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide?
3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide has a molecular weight of 406.41 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-[2-(4-methoxyphenoxy)-3-pyridinyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 86950057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).