2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide

C14H20N2O4S — CID 82915807

IUPAC2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide
SMILESCc1cc(OC(C)C(=O)N2CCCC2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-10-9-12(5-6-13(10)21(15,18)19)20-11(2)14(17)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8H2,1-2H3,(H2,15,18,19)
InChIKeyMGLVMUNWBSJCFX-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.03
Rot. Bonds4

About 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide

2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide (PubChem CID 82915807) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide
PubChem CID82915807
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide
SMILESCc1cc(OC(C)C(=O)N2CCCC2)ccc1S(N)(=O)=O
InChIInChI=1S/C14H20N2O4S/c1-10-9-12(5-6-13(10)21(15,18)19)20-11(2)14(17)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8H2,1-2H3,(H2,15,18,19)
InChIKeyMGLVMUNWBSJCFX-UHFFFAOYSA-N
XLogP1.03
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-3-methylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 83133278
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-(4-chloro-3,5-dimethylphenoxy)-1-piperidin-1-ylpropan-1-one
CID 2969657
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylphenoxy)propan-1-one
CID 107723487
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
2-(3-methyl-4-sulfamoylphenoxy)-N-propylpropanamide
CID 82914816
2-(3,4-dichlorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112787311
2-(3,4-difluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 112788400
methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate
CID 60627945
2-(4-bromo-3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 65202836
2-(4-tert-butylphenoxy)-1-[4-[2-(4-tert-butylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 17046898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide?
The IUPAC name of 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide (CID 82915807) is 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide.
What is the SMILES notation for 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide?
The canonical SMILES for 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide is Cc1cc(OC(C)C(=O)N2CCCC2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide?
The InChIKey is MGLVMUNWBSJCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10-9-12(5-6-13(10)21(15,18)19)20-11(2)14(17)16-7-3-4-8-16/h5-6,9,11H,3-4,7-8H2,1-2H3,(H2,15,18,19).
What are the key properties of 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide?
2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzenesulfonamide is sourced from PubChem (CID 82915807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).