2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone

C14H18N2O5S — CID 3561599

IUPAC2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCN1C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H18N2O5S/c1-21-10-13(17)15-8-5-9-16(15)14(18)11-6-3-4-7-12(11)22(2,19)20/h3-4,6-7H,5,8-10H2,1-2H3
InChIKeyUBUDJVIQFOWGKF-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.33
Rot. Bonds4

About 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone

2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone (PubChem CID 3561599) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone
PubChem CID3561599
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone
SMILESCOCC(=O)N1CCCN1C(=O)c1ccccc1S(C)(=O)=O
InChIInChI=1S/C14H18N2O5S/c1-21-10-13(17)15-8-5-9-16(15)14(18)11-6-3-4-7-12(11)22(2,19)20/h3-4,6-7H,5,8-10H2,1-2H3
InChIKeyUBUDJVIQFOWGKF-UHFFFAOYSA-N
XLogP0.33
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyethoxy)-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone
CID 3823427
3-ethoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]propan-1-one
CID 3436543
1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]-2-(2,3,4-trimethoxyphenyl)ethanone
CID 3540499
prop-2-ynyl 2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carboxylate
CID 3764287
(2,6-dimethoxy-3-pyridinyl)-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]methanone
CID 4670046
1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]but-2-en-1-one
CID 3561600
(2-fluoro-3-pyridinyl)-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]methanone
CID 3769600
2-(2-methylsulfonylbenzoyl)-N-prop-2-enylpyrazolidine-1-carboxamide
CID 3825267
2-(2-methylsulfonylbenzoyl)-N-propylpyrazolidine-1-carbothioamide
CID 3832371
3-(1,3-benzodioxol-5-yl)-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]propan-1-one
CID 3542133
[2-(5-methyl-1,2-oxazole-3-carbonyl)pyrazolidin-1-yl]-(2-methylsulfonylphenyl)methanone
CID 3716230
N-(2,6-dimethylphenyl)-2-(2-methylsulfonylbenzoyl)pyrazolidine-1-carboxamide
CID 3733417

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone (CID 3561599) is 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone is COCC(=O)N1CCCN1C(=O)c1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone?
The InChIKey is UBUDJVIQFOWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-21-10-13(17)15-8-5-9-16(15)14(18)11-6-3-4-7-12(11)22(2,19)20/h3-4,6-7H,5,8-10H2,1-2H3.
What are the key properties of 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone?
2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone has a molecular weight of 326.37 g/mol, XLogP of 0.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[2-(2-methylsulfonylbenzoyl)pyrazolidin-1-yl]ethanone is sourced from PubChem (CID 3561599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).