N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide

C21H14F2N2O3S — CID 11683033

IUPACN-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1ncc(-c2ccoc2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C21H14F2N2O3S/c1-27-21-14(9-13(10-24-21)12-7-8-28-11-12)17-5-6-18(29-17)20(26)25-19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26)
InChIKeyIUXQNLFKLUJFOW-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.61
Rot. Bonds5

About N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide

N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 11683033) has the molecular formula C21H14F2N2O3S and a molecular weight of 412.42 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
PubChem CID11683033
Molecular FormulaC21H14F2N2O3S
Molecular Weight412.42 g/mol
Exact Mass412.07
IUPAC NameN-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide
SMILESCOc1ncc(-c2ccoc2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1
InChIInChI=1S/C21H14F2N2O3S/c1-27-21-14(9-13(10-24-21)12-7-8-28-11-12)17-5-6-18(29-17)20(26)25-19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26)
InChIKeyIUXQNLFKLUJFOW-UHFFFAOYSA-N
XLogP5.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide (CID 11683033) is N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide is COc1ncc(-c2ccoc2)cc1-c1ccc(C(=O)Nc2c(F)cccc2F)s1.
What is the InChIKey of N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is IUXQNLFKLUJFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N2O3S/c1-27-21-14(9-13(10-24-21)12-7-8-28-11-12)17-5-6-18(29-17)20(26)25-19-15(22)3-2-4-16(19)23/h2-11H,1H3,(H,25,26).
What are the key properties of N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide?
N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 412.42 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-5-[5-(furan-3-yl)-2-methoxy-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 11683033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).