5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

C23H24F2N2O3S2 — CID 123569303

IUPAC5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)=O)s2)cn1C(C)C
InChIInChI=1S/C23H24F2N2O3S2/c1-13(2)27-12-18(23(29)26-11-17-8-9-19(31-17)32(4)30)21(28)20(14(27)3)15-6-5-7-16(10-15)22(24)25/h5-10,12-13,22H,11H2,1-4H3,(H,26,29)
InChIKeyXFPNBISKGMIEIO-UHFFFAOYSA-N
MW478.59 g/mol
LogP5.07
Rot. Bonds7

About 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide

5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (PubChem CID 123569303) has the molecular formula C23H24F2N2O3S2 and a molecular weight of 478.59 g/mol. Its IUPAC name is 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
PubChem CID123569303
Molecular FormulaC23H24F2N2O3S2
Molecular Weight478.59 g/mol
Exact Mass478.12
IUPAC Name5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide
SMILESCc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)=O)s2)cn1C(C)C
InChIInChI=1S/C23H24F2N2O3S2/c1-13(2)27-12-18(23(29)26-11-17-8-9-19(31-17)32(4)30)21(28)20(14(27)3)15-6-5-7-16(10-15)22(24)25/h5-10,12-13,22H,11H2,1-4H3,(H,26,29)
InChIKeyXFPNBISKGMIEIO-UHFFFAOYSA-N
XLogP5.07
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.59
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide (CID 123569303) is 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is Cc1c(-c2cccc(C(F)F)c2)c(=O)c(C(=O)NCc2ccc(S(C)=O)s2)cn1C(C)C.
What is the InChIKey of 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
The InChIKey is XFPNBISKGMIEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O3S2/c1-13(2)27-12-18(23(29)26-11-17-8-9-19(31-17)32(4)30)21(28)20(14(27)3)15-6-5-7-16(10-15)22(24)25/h5-10,12-13,22H,11H2,1-4H3,(H,26,29).
What are the key properties of 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide?
5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide has a molecular weight of 478.59 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(difluoromethyl)phenyl]-6-methyl-N-[(5-methylsulfinylthiophen-2-yl)methyl]-4-oxo-1-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 123569303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).