N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide

C20H24F2N2O3S — CID 134311521

IUPACN-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide
SMILESCc1cc(-c2cc(NS(C)=O)ccc2OC2CCC(F)(F)CC2)cn(C)c1=O
InChIInChI=1S/C20H24F2N2O3S/c1-13-10-14(12-24(2)19(13)25)17-11-15(23-28(3)26)4-5-18(17)27-16-6-8-20(21,22)9-7-16/h4-5,10-12,16,23H,6-9H2,1-3H3
InChIKeyQHFQGXRETFSBPX-UHFFFAOYSA-N
MW410.49 g/mol
LogP4.02
Rot. Bonds5

About N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide

N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide (PubChem CID 134311521) has the molecular formula C20H24F2N2O3S and a molecular weight of 410.49 g/mol. Its IUPAC name is N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide.

Molecular Properties

Compound NameN-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide
PubChem CID134311521
Molecular FormulaC20H24F2N2O3S
Molecular Weight410.49 g/mol
Exact Mass410.15
IUPAC NameN-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide
SMILESCc1cc(-c2cc(NS(C)=O)ccc2OC2CCC(F)(F)CC2)cn(C)c1=O
InChIInChI=1S/C20H24F2N2O3S/c1-13-10-14(12-24(2)19(13)25)17-11-15(23-28(3)26)4-5-18(17)27-16-6-8-20(21,22)9-7-16/h4-5,10-12,16,23H,6-9H2,1-3H3
InChIKeyQHFQGXRETFSBPX-UHFFFAOYSA-N
XLogP4.02
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide?
The IUPAC name of N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide (CID 134311521) is N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide.
What is the SMILES notation for N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide?
The canonical SMILES for N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide is Cc1cc(-c2cc(NS(C)=O)ccc2OC2CCC(F)(F)CC2)cn(C)c1=O.
What is the InChIKey of N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide?
The InChIKey is QHFQGXRETFSBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3S/c1-13-10-14(12-24(2)19(13)25)17-11-15(23-28(3)26)4-5-18(17)27-16-6-8-20(21,22)9-7-16/h4-5,10-12,16,23H,6-9H2,1-3H3.
What are the key properties of N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide?
N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide has a molecular weight of 410.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,4-difluorocyclohexyl)oxy-3-(1,5-dimethyl-6-oxo-3-pyridinyl)phenyl]methanesulfinamide is sourced from PubChem (CID 134311521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).