2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide

C15H20N4O5S — CID 146024648

IUPAC2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CC(N3CCNC(=O)C3)C2)cc1C(N)=O
InChIInChI=1S/C15H20N4O5S/c1-24-13-3-2-11(6-12(13)15(16)21)25(22,23)19-7-10(8-19)18-5-4-17-14(20)9-18/h2-3,6,10H,4-5,7-9H2,1H3,(H2,16,21)(H,17,20)
InChIKeyFDFRHFYGFKBRFX-UHFFFAOYSA-N
MW368.42 g/mol
LogP-1.40
Rot. Bonds5

About 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide

2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide (PubChem CID 146024648) has the molecular formula C15H20N4O5S and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide.

Molecular Properties

Compound Name2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide
PubChem CID146024648
Molecular FormulaC15H20N4O5S
Molecular Weight368.42 g/mol
Exact Mass368.12
IUPAC Name2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide
SMILESCOc1ccc(S(=O)(=O)N2CC(N3CCNC(=O)C3)C2)cc1C(N)=O
InChIInChI=1S/C15H20N4O5S/c1-24-13-3-2-11(6-12(13)15(16)21)25(22,23)19-7-10(8-19)18-5-4-17-14(20)9-18/h2-3,6,10H,4-5,7-9H2,1H3,(H2,16,21)(H,17,20)
InChIKeyFDFRHFYGFKBRFX-UHFFFAOYSA-N
XLogP-1.40
TPSA122.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 5-1.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylazetidin-3-yl]piperidine-4-carboxylate
CID 146024645
2-methoxy-5-(4-methylsulfonylpiperazin-1-yl)sulfonylbenzamide
CID 171134280
2-methoxy-5-(4-methyl-3-oxopiperazin-1-yl)sulfonylbenzamide
CID 146024506
5-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)-2-methoxybenzamide;hydrochloride
CID 119989115
5-(4-amino-3-methylpiperidin-1-yl)sulfonyl-2-methoxybenzamide
CID 119983942
2-methoxy-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119979778
5-[(2,2-dioxo-2λ6-thia-5-azabicyclo[2.2.1]heptan-5-yl)sulfonyl]-2-methoxybenzamide
CID 122273597
2-[1-(3-carbamoyl-4-methoxyphenyl)sulfonylpiperidin-4-yl]acetic acid
CID 146024578
2-methoxy-5-[3-[(2-methyl-4-pyridinyl)oxy]azetidin-1-yl]sulfonylbenzamide
CID 155801171
2-methoxy-5-[4-(6-pyrazol-1-ylpyridazin-3-yl)piperazin-1-yl]sulfonylbenzamide
CID 122339159
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-2-methoxybenzoate
CID 2361227
5-[(3-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)sulfonyl]-2-methoxybenzamide
CID 138988318

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide?
The IUPAC name of 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide (CID 146024648) is 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide.
What is the SMILES notation for 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide?
The canonical SMILES for 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide is COc1ccc(S(=O)(=O)N2CC(N3CCNC(=O)C3)C2)cc1C(N)=O.
What is the InChIKey of 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide?
The InChIKey is FDFRHFYGFKBRFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O5S/c1-24-13-3-2-11(6-12(13)15(16)21)25(22,23)19-7-10(8-19)18-5-4-17-14(20)9-18/h2-3,6,10H,4-5,7-9H2,1H3,(H2,16,21)(H,17,20).
What are the key properties of 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide?
2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide has a molecular weight of 368.42 g/mol, XLogP of -1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[3-(3-oxopiperazin-1-yl)azetidin-1-yl]sulfonylbenzamide is sourced from PubChem (CID 146024648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).