2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide

C15H22N2O4S — CID 110347501

IUPAC2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C15H22N2O4S/c1-11-6-7-13(21-3)14(10-11)22(19,20)16-12(2)15(18)17-8-4-5-9-17/h6-7,10,12,16H,4-5,8-9H2,1-3H3/t12-/m0/s1
InChIKeyPNYZVRUPUKOIJT-LBPRGKRZSA-N
MW326.42 g/mol
LogP1.29
Rot. Bonds5

About 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide

2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide (PubChem CID 110347501) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
PubChem CID110347501
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1
InChIInChI=1S/C15H22N2O4S/c1-11-6-7-13(21-3)14(10-11)22(19,20)16-12(2)15(18)17-8-4-5-9-17/h6-7,10,12,16H,4-5,8-9H2,1-3H3/t12-/m0/s1
InChIKeyPNYZVRUPUKOIJT-LBPRGKRZSA-N
XLogP1.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 51097874
2-methoxy-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide
CID 94799743
(2S)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393332
2-methoxy-5-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)benzenesulfonamide
CID 43888990
(2R)-N-cyclopropyl-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7393559
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 124549238
(1-oxo-1-pyrrolidin-1-ylpropan-2-yl) 4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzoate
CID 43005274
N-(2-methoxy-5-methylphenyl)-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)methanesulfonamide
CID 50946275
N-(2-methoxy-5-methylphenyl)-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]methanesulfonamide
CID 95119201
(2R)-N-(3-chloro-4-methylphenyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7376444
N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 30143452
4-ethoxy-2,5-dimethyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzenesulfonamide
CID 110347613

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide (CID 110347501) is 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)C(=O)N1CCCC1.
What is the InChIKey of 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is PNYZVRUPUKOIJT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-11-6-7-13(21-3)14(10-11)22(19,20)16-12(2)15(18)17-8-4-5-9-17/h6-7,10,12,16H,4-5,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide?
2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 326.42 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 110347501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).