2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide

C17H19N3O5S — CID 155801171

IUPAC2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CC(Oc3ccnc(C)c3)C2)cc1C(N)=O
InChIInChI=1S/C17H19N3O5S/c1-11-7-12(5-6-19-11)25-13-9-20(10-13)26(22,23)14-3-4-16(24-2)15(8-14)17(18)21/h3-8,13H,9-10H2,1-2H3,(H2,18,21)
InChIKeyOHEFWNGASWUBMJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP0.95
Rot. Bonds6

About 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide

2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide (PubChem CID 155801171) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide
PubChem CID155801171
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CC(Oc3ccnc(C)c3)C2)cc1C(N)=O
InChIInChI=1S/C17H19N3O5S/c1-11-7-12(5-6-19-11)25-13-9-20(10-13)26(22,23)14-3-4-16(24-2)15(8-14)17(18)21/h3-8,13H,9-10H2,1-2H3,(H2,18,21)
InChIKeyOHEFWNGASWUBMJ-UHFFFAOYSA-N
XLogP0.95
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 122267256
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
5-[4-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]sulfonyl-2-methoxybenzamide
CID 146024604
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
2-methoxy-5-[(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]benzamide
CID 121186296
2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide
CID 146024648
4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine
CID 155801121
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
CID 146024645
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
2-methoxy-5-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]sulfonylbenzamide
CID 122343959

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide?
The IUPAC name of 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide (CID 155801171) is 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide is COc1ccc(S(=O)(=O)N2CC(Oc3ccnc(C)c3)C2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide?
The InChIKey is OHEFWNGASWUBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-11-7-12(5-6-19-11)25-13-9-20(10-13)26(22,23)14-3-4-16(24-2)15(8-14)17(18)21/h3-8,13H,9-10H2,1-2H3,(H2,18,21).
What are the key properties of 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide?
2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide has a molecular weight of 377.42 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 155801171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).