3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

C23H27N3O6S — CID 100530587

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C23H27N3O6S/c1-31-21-7-6-19(14-20(21)26-22(27)8-9-23(26)28)33(29,30)24-15-17-4-2-3-5-18(17)16-25-10-12-32-13-11-25/h2-7,14,24H,8-13,15-16H2,1H3
InChIKeyWAISKKWSEVSMAW-UHFFFAOYSA-N
MW473.55 g/mol
LogP1.66
Rot. Bonds8

About 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide

3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 100530587) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
PubChem CID100530587
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C23H27N3O6S/c1-31-21-7-6-19(14-20(21)26-22(27)8-9-23(26)28)33(29,30)24-15-17-4-2-3-5-18(17)16-25-10-12-32-13-11-25/h2-7,14,24H,8-13,15-16H2,1H3
InChIKeyWAISKKWSEVSMAW-UHFFFAOYSA-N
XLogP1.66
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100556461
2,5-dimethoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 27665440
4-methylsulfonyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 31534702
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 9190592
N-[(2-chlorophenyl)methyl]-4-methoxy-3-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 53284127
1-acetyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26531392
N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100758452
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-methyl-4-phenylpentan-2-yl)benzenesulfonamide
CID 133262202
N-[[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100749615
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329
4-methoxy-3-(2-oxopyrrolidin-1-yl)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 46767386
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide
CID 133235289

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide (CID 100530587) is 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCc2ccccc2CN2CCOCC2)cc1N1C(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is WAISKKWSEVSMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-31-21-7-6-19(14-20(21)26-22(27)8-9-23(26)28)33(29,30)24-15-17-4-2-3-5-18(17)16-25-10-12-32-13-11-25/h2-7,14,24H,8-13,15-16H2,1H3.
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide?
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 473.55 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 100530587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).