3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide

C18H14F2N2O4S2 — CID 86946752

IUPAC3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3sccc3S(=O)(=O)C(F)F)cc2)nc1
InChIInChI=1S/C18H14F2N2O4S2/c1-11-2-7-15(21-10-11)26-13-5-3-12(4-6-13)22-17(23)16-14(8-9-27-16)28(24,25)18(19)20/h2-10,18H,1H3,(H,22,23)
InChIKeyQQQPMRUDRQELCV-UHFFFAOYSA-N
MW424.45 g/mol
LogP4.49
Rot. Bonds6

About 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide

3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide (PubChem CID 86946752) has the molecular formula C18H14F2N2O4S2 and a molecular weight of 424.45 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide
PubChem CID86946752
Molecular FormulaC18H14F2N2O4S2
Molecular Weight424.45 g/mol
Exact Mass424.04
IUPAC Name3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)c3sccc3S(=O)(=O)C(F)F)cc2)nc1
InChIInChI=1S/C18H14F2N2O4S2/c1-11-2-7-15(21-10-11)26-13-5-3-12(4-6-13)22-17(23)16-14(8-9-27-16)28(24,25)18(19)20/h2-10,18H,1H3,(H,22,23)
InChIKeyQQQPMRUDRQELCV-UHFFFAOYSA-N
XLogP4.49
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide?
The IUPAC name of 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide (CID 86946752) is 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide?
The canonical SMILES for 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide is Cc1ccc(Oc2ccc(NC(=O)c3sccc3S(=O)(=O)C(F)F)cc2)nc1.
What is the InChIKey of 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide?
The InChIKey is QQQPMRUDRQELCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O4S2/c1-11-2-7-15(21-10-11)26-13-5-3-12(4-6-13)22-17(23)16-14(8-9-27-16)28(24,25)18(19)20/h2-10,18H,1H3,(H,22,23).
What are the key properties of 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide?
3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide has a molecular weight of 424.45 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 86946752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).