3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide

C20H22N2O6S — CID 133235289

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)COc2ccccc2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C20H22N2O6S/c1-14(13-28-15-6-4-3-5-7-15)21-29(25,26)16-8-9-18(27-2)17(12-16)22-19(23)10-11-20(22)24/h3-9,12,14,21H,10-11,13H2,1-2H3
InChIKeyDOMVRWMLBUPKNJ-UHFFFAOYSA-N
MW418.47 g/mol
LogP2.09
Rot. Bonds8

About 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide

3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide (PubChem CID 133235289) has the molecular formula C20H22N2O6S and a molecular weight of 418.47 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide
PubChem CID133235289
Molecular FormulaC20H22N2O6S
Molecular Weight418.47 g/mol
Exact Mass418.12
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)COc2ccccc2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C20H22N2O6S/c1-14(13-28-15-6-4-3-5-7-15)21-29(25,26)16-8-9-18(27-2)17(12-16)22-19(23)10-11-20(22)24/h3-9,12,14,21H,10-11,13H2,1-2H3
InChIKeyDOMVRWMLBUPKNJ-UHFFFAOYSA-N
XLogP2.09
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide
CID 133262202
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxyphenyl)-3-methylbutyl]benzenesulfonamide
CID 133187731
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 100667946
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[1-(4-methoxy-3-methylphenyl)propyl]benzenesulfonamide
CID 133162271
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100556461
3-fluoro-4-methoxy-N-[(2S)-1-(4-methoxyphenoxy)propan-2-yl]benzenesulfonamide
CID 30387494
N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-4-phenoxybenzenesulfonamide
CID 94012174
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 100608324
3-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-ethylphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 100557463
N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100608093
N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100758452
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 100530587

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide (CID 133235289) is 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)COc2ccccc2)cc1N1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide?
The InChIKey is DOMVRWMLBUPKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O6S/c1-14(13-28-15-6-4-3-5-7-15)21-29(25,26)16-8-9-18(27-2)17(12-16)22-19(23)10-11-20(22)24/h3-9,12,14,21H,10-11,13H2,1-2H3.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide?
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide has a molecular weight of 418.47 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 133235289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).