1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide

C14H18N2O4S — CID 168716937

IUPAC1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESC=C(C)COc1cccc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C14H18N2O4S/c1-10(2)9-20-12-5-3-4-11(6-12)16-8-13(7-14(16)17)21(15,18)19/h3-6,13H,1,7-9H2,2H3,(H2,15,18,19)
InChIKeyRYPOMQIRKOPVDX-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.04
Rot. Bonds5

About 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide

1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide (PubChem CID 168716937) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
PubChem CID168716937
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide
SMILESC=C(C)COc1cccc(N2CC(S(N)(=O)=O)CC2=O)c1
InChIInChI=1S/C14H18N2O4S/c1-10(2)9-20-12-5-3-4-11(6-12)16-8-13(7-14(16)17)21(15,18)19/h3-6,13H,1,7-9H2,2H3,(H2,15,18,19)
InChIKeyRYPOMQIRKOPVDX-UHFFFAOYSA-N
XLogP1.04
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717122
4-hydroxy-1-[3-(2-methylprop-2-enoxy)phenyl]pyrrolidin-2-one
CID 168701900
[1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168672720
1-(3-acetylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168716979
N-[3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)phenyl]acetamide
CID 168716959
N,N-diethyl-3-(2-oxo-4-sulfamoylpyrrolidin-1-yl)benzamide
CID 168717035
1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717113
5-oxo-1-(3-piperidin-1-ylphenyl)pyrrolidine-3-sulfonamide
CID 168719420
4-[3-(2-methylprop-2-enoxy)phenyl]morpholin-3-one
CID 165482189
5-oxo-1-[3-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidine-3-sulfonamide
CID 168719381
1-[4-fluoro-3-(hydroxymethyl)phenyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718735
1-(2-chloro-4-pyridinyl)-5-oxopyrrolidine-3-sulfonamide
CID 168719282

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The IUPAC name of 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide (CID 168716937) is 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide is C=C(C)COc1cccc(N2CC(S(N)(=O)=O)CC2=O)c1.
What is the InChIKey of 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide?
The InChIKey is RYPOMQIRKOPVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10(2)9-20-12-5-3-4-11(6-12)16-8-13(7-14(16)17)21(15,18)19/h3-6,13H,1,7-9H2,2H3,(H2,15,18,19).
What are the key properties of 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide?
1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylprop-2-enoxy)phenyl]-5-oxopyrrolidine-3-sulfonamide is sourced from PubChem (CID 168716937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).