[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate

C22H25NO7S — CID 2645661

IUPAC[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1
InChIInChI=1S/C22H25NO7S/c1-28-17-8-11-19(21(14-17)29-2)22(25)30-15-20(24)16-6-9-18(10-7-16)31(26,27)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyOFTBSTMRYQIJOX-UHFFFAOYSA-N
MW447.51 g/mol
LogP2.92
Rot. Bonds8

About [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate

[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate (PubChem CID 2645661) has the molecular formula C22H25NO7S and a molecular weight of 447.51 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate
PubChem CID2645661
Molecular FormulaC22H25NO7S
Molecular Weight447.51 g/mol
Exact Mass447.14
IUPAC Name[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1
InChIInChI=1S/C22H25NO7S/c1-28-17-8-11-19(21(14-17)29-2)22(25)30-15-20(24)16-6-9-18(10-7-16)31(26,27)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3
InChIKeyOFTBSTMRYQIJOX-UHFFFAOYSA-N
XLogP2.92
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate with MolForge

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Related Compounds

4-Methoxy-3-(morpholine-4-sulfonyl)-benzoic acid 2-oxo-2-phenyl-ethyl ester
CID 1107085
[2-Oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-hydroxybenzoate
CID 2640327
[2-Oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 3,5-dimethoxybenzoate
CID 2645690
[2-(2,4-Dimethoxyphenyl)-2-oxoethyl] 3-(benzenesulfonamido)propanoate
CID 7912980
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] (E)-3-(2,3-dimethoxyphenyl)prop-2-enoate
CID 24978776
2-(4-Methoxyphenyl)acetic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester
CID 25163176
(2-Acetylphenyl) 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2123814
(2-Methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate
CID 9104401
[2-[2,4-Bis(difluoromethoxy)phenyl]-2-oxoethyl] 4-(dimethylsulfamoyl)benzoate
CID 2392044
(5-Acetyl-2-methoxyphenyl)methyl 4-morpholin-4-ylsulfonylbenzoate
CID 2418345
(5-Acetyl-2-methoxyphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 2550787
[2-Oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 5-methylfuran-2-carboxylate
CID 2627212

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate (CID 2645661) is [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate is COc1ccc(C(=O)OCC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(OC)c1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate?
The InChIKey is OFTBSTMRYQIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO7S/c1-28-17-8-11-19(21(14-17)29-2)22(25)30-15-20(24)16-6-9-18(10-7-16)31(26,27)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3.
What are the key properties of [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate?
[2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate has a molecular weight of 447.51 g/mol, XLogP of 2.92, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2,4-dimethoxybenzoate is sourced from PubChem (CID 2645661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).