N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide

C20H22FN3O5S — CID 91814887

IUPACN-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(OC2CN(C(=O)CNS(=O)(=O)c3cccc(F)c3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C20H22FN3O5S/c1-13-7-16(9-19(25)24(13)15-5-6-15)29-17-11-23(12-17)20(26)10-22-30(27,28)18-4-2-3-14(21)8-18/h2-4,7-9,15,17,22H,5-6,10-12H2,1H3
InChIKeyZGYGSUNTSHAPRU-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.20
Rot. Bonds7

About N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide

N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide (PubChem CID 91814887) has the molecular formula C20H22FN3O5S and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide
PubChem CID91814887
Molecular FormulaC20H22FN3O5S
Molecular Weight435.48 g/mol
Exact Mass435.13
IUPAC NameN-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(OC2CN(C(=O)CNS(=O)(=O)c3cccc(F)c3)C2)cc(=O)n1C1CC1
InChIInChI=1S/C20H22FN3O5S/c1-13-7-16(9-19(25)24(13)15-5-6-15)29-17-11-23(12-17)20(26)10-22-30(27,28)18-4-2-3-14(21)8-18/h2-4,7-9,15,17,22H,5-6,10-12H2,1H3
InChIKeyZGYGSUNTSHAPRU-UHFFFAOYSA-N
XLogP1.20
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide (CID 91814887) is N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide is Cc1cc(OC2CN(C(=O)CNS(=O)(=O)c3cccc(F)c3)C2)cc(=O)n1C1CC1.
What is the InChIKey of N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide?
The InChIKey is ZGYGSUNTSHAPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O5S/c1-13-7-16(9-19(25)24(13)15-5-6-15)29-17-11-23(12-17)20(26)10-22-30(27,28)18-4-2-3-14(21)8-18/h2-4,7-9,15,17,22H,5-6,10-12H2,1H3.
What are the key properties of N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide?
N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide has a molecular weight of 435.48 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 91814887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).