4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one

C18H21NO6S — CID 90628865

IUPAC4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(Oc2cc(C)oc(=O)c2)C1
InChIInChI=1S/C18H21NO6S/c1-3-23-16-6-4-5-7-17(16)26(21,22)19-9-8-14(12-19)25-15-10-13(2)24-18(20)11-15/h4-7,10-11,14H,3,8-9,12H2,1-2H3
InChIKeyJKMTTZSCLWLTDJ-UHFFFAOYSA-N
MW379.43 g/mol
LogP2.19
Rot. Bonds6

About 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one

4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one (PubChem CID 90628865) has the molecular formula C18H21NO6S and a molecular weight of 379.43 g/mol. Its IUPAC name is 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one.

Molecular Properties

Compound Name4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
PubChem CID90628865
Molecular FormulaC18H21NO6S
Molecular Weight379.43 g/mol
Exact Mass379.11
IUPAC Name4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
SMILESCCOc1ccccc1S(=O)(=O)N1CCC(Oc2cc(C)oc(=O)c2)C1
InChIInChI=1S/C18H21NO6S/c1-3-23-16-6-4-5-7-17(16)26(21,22)19-9-8-14(12-19)25-15-10-13(2)24-18(20)11-15/h4-7,10-11,14H,3,8-9,12H2,1-2H3
InChIKeyJKMTTZSCLWLTDJ-UHFFFAOYSA-N
XLogP2.19
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 90628899
6-methyl-4-[1-(2,3,5,6-tetramethylphenyl)sulfonylpyrrolidin-3-yl]oxypyran-2-one
CID 90628877
4-[(3R)-1-[4-(4-fluorophenyl)phenyl]sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one
CID 99877957
4-[1-(4-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155734
1-cyclopropyl-4-[1-(2-ethoxyphenyl)sulfonylazetidin-3-yl]oxy-6-methylpyridin-2-one
CID 121156132
4-(1-cyclopropylsulfonylazetidin-3-yl)oxy-6-methylpyran-2-one
CID 86265520
4-[1-(3-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629229
4-[1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyran-2-one
CID 90629242
4-[1-[1-(2-ethoxyphenyl)sulfonylpiperidin-4-yl]piperidin-4-yl]oxypyridine
CID 90617489
4-[1-[3-(2-ethoxyphenyl)propanoyl]azetidin-3-yl]oxy-6-methylpyran-2-one
CID 121155512
3-(benzenesulfonyl)-1-(2-ethoxyphenyl)sulfonylpyrrolidine
CID 71805611
6-methyl-4-[1-(5-methylthiophen-2-yl)sulfonylpiperidin-4-yl]oxypyran-2-one
CID 90629222

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one?
The IUPAC name of 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one (CID 90628865) is 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one.
What is the SMILES notation for 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one?
The canonical SMILES for 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one is CCOc1ccccc1S(=O)(=O)N1CCC(Oc2cc(C)oc(=O)c2)C1.
What is the InChIKey of 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one?
The InChIKey is JKMTTZSCLWLTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO6S/c1-3-23-16-6-4-5-7-17(16)26(21,22)19-9-8-14(12-19)25-15-10-13(2)24-18(20)11-15/h4-7,10-11,14H,3,8-9,12H2,1-2H3.
What are the key properties of 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one?
4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one has a molecular weight of 379.43 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-ethoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyran-2-one is sourced from PubChem (CID 90628865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).