[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C15H22N2O4S — CID 168680272

IUPAC[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCC(C)Oc1ccc(N2CC(CS(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-11(2)21-14-6-4-13(5-7-14)17-9-12(8-15(17)18)10-22(16,19)20/h4-7,11-12H,3,8-10H2,1-2H3,(H2,16,19,20)
InChIKeyBSYHUBRFPBZIFY-UHFFFAOYSA-N
MW326.42 g/mol
LogP1.51
Rot. Bonds6

About [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168680272) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168680272
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCCC(C)Oc1ccc(N2CC(CS(N)(=O)=O)CC2=O)cc1
InChIInChI=1S/C15H22N2O4S/c1-3-11(2)21-14-6-4-13(5-7-14)17-9-12(8-15(17)18)10-22(16,19)20/h4-7,11-12H,3,8-10H2,1-2H3,(H2,16,19,20)
InChIKeyBSYHUBRFPBZIFY-UHFFFAOYSA-N
XLogP1.51
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168674785
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[5-oxo-1-(4-sulfanylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168682592
[5-oxo-1-(3-propan-2-ylphenyl)pyrrolidin-3-yl]methanesulfonamide
CID 168680676
[1-(3-bromo-5-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681236
[1-[6-(diethylamino)-3-pyridinyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680793
[1-[4-(2-hydroxyethyl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683084
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-[4-(2-methylimidazol-1-yl)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681755
[1-(3,4-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682505
[1-(4-benzoylphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682571
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795

Frequently Asked Questions

What is the IUPAC name of [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168680272) is [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is CCC(C)Oc1ccc(N2CC(CS(N)(=O)=O)CC2=O)cc1.
What is the InChIKey of [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is BSYHUBRFPBZIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-3-11(2)21-14-6-4-13(5-7-14)17-9-12(8-15(17)18)10-22(16,19)20/h4-7,11-12H,3,8-10H2,1-2H3,(H2,16,19,20).
What are the key properties of [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-butan-2-yloxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168680272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).