N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide

C22H27N3O5S — CID 91814886

IUPACN-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1
InChIInChI=1S/C22H27N3O5S/c1-14-4-5-15(2)20(8-14)31(28,29)23-11-22(27)24-12-19(13-24)30-18-9-16(3)25(17-6-7-17)21(26)10-18/h4-5,8-10,17,19,23H,6-7,11-13H2,1-3H3
InChIKeyPIFPQCOWXYXURL-UHFFFAOYSA-N
MW445.54 g/mol
LogP1.68
Rot. Bonds7

About N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide

N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 91814886) has the molecular formula C22H27N3O5S and a molecular weight of 445.54 g/mol. Its IUPAC name is N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID91814886
Molecular FormulaC22H27N3O5S
Molecular Weight445.54 g/mol
Exact Mass445.17
IUPAC NameN-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1
InChIInChI=1S/C22H27N3O5S/c1-14-4-5-15(2)20(8-14)31(28,29)23-11-22(27)24-12-19(13-24)30-18-9-16(3)25(17-6-7-17)21(26)10-18/h4-5,8-10,17,19,23H,6-7,11-13H2,1-3H3
InChIKeyPIFPQCOWXYXURL-UHFFFAOYSA-N
XLogP1.68
TPSA97.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 51.68
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]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide (CID 91814886) is N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(=O)N2CC(Oc3cc(C)n(C4CC4)c(=O)c3)C2)c1.
What is the InChIKey of N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is PIFPQCOWXYXURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5S/c1-14-4-5-15(2)20(8-14)31(28,29)23-11-22(27)24-12-19(13-24)30-18-9-16(3)25(17-6-7-17)21(26)10-18/h4-5,8-10,17,19,23H,6-7,11-13H2,1-3H3.
What are the key properties of N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide?
N-[2-[3-[(1-cyclopropyl-2-methyl-6-oxo-4-pyridinyl)oxy]azetidin-1-yl]-2-oxoethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 445.54 g/mol, XLogP of 1.68, 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]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 91814886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).