ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate

C23H27N3O7S2 — CID 23772688

IUPACethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)CC(N(CCN3CCOCC3)S(=O)(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C23H27N3O7S2/c1-2-33-23(29)17-5-7-18(8-6-17)26-20(27)16-19(22(26)28)25(10-9-24-11-13-32-14-12-24)35(30,31)21-4-3-15-34-21/h3-8,15,19H,2,9-14,16H2,1H3
InChIKeyLIQSDGDWNDHUTB-UHFFFAOYSA-N
MW521.62 g/mol
LogP1.58
Rot. Bonds9

About ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate

ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate (PubChem CID 23772688) has the molecular formula C23H27N3O7S2 and a molecular weight of 521.62 g/mol. Its IUPAC name is ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
PubChem CID23772688
Molecular FormulaC23H27N3O7S2
Molecular Weight521.62 g/mol
Exact Mass521.13
IUPAC Nameethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
SMILESCCOC(=O)c1ccc(N2C(=O)CC(N(CCN3CCOCC3)S(=O)(=O)c3cccs3)C2=O)cc1
InChIInChI=1S/C23H27N3O7S2/c1-2-33-23(29)17-5-7-18(8-6-17)26-20(27)16-19(22(26)28)25(10-9-24-11-13-32-14-12-24)35(30,31)21-4-3-15-34-21/h3-8,15,19H,2,9-14,16H2,1H3
InChIKeyLIQSDGDWNDHUTB-UHFFFAOYSA-N
XLogP1.58
TPSA113.53 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate with MolForge

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Related Compounds

N-[1-(4-iodophenyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-morpholin-4-ylethyl)thiophene-2-sulfonamide
CID 23942748
methyl 4-[2,5-dioxo-3-[prop-2-enyl(thiophen-2-ylsulfonyl)amino]pyrrolidin-1-yl]benzoate
CID 23772653
N-[2,5-dioxo-1-(4-propan-2-ylphenyl)pyrrolidin-3-yl]-4-methyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 23830645
ethyl 4-(3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl)benzoate
CID 2877522
ethyl 4-[3-[benzenesulfonyl-[2-(3-chlorophenyl)ethyl]amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23801832
ethyl 4-[3-[1,3-benzodioxol-5-ylmethyl(thiophene-2-carbonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23831012
ethyl 4-[3-[2-(3-chlorophenyl)ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23914848
ethyl 4-[3-[adamantane-1-carbonyl(thiophen-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23832454
ethyl 4-[3-[[2-(4-chlorophenyl)acetyl]-(thiophen-2-ylmethyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate
CID 23970966
ethyl 4-[2,5-dioxo-3-[1-phenylethyl(thiophene-2-carbonyl)amino]pyrrolidin-1-yl]benzoate
CID 23971125
[4-[3-[1,3-benzodioxol-5-ylmethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 23914869
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)thiophene-2-sulfonamide
CID 23886722

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate?
The IUPAC name of ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate (CID 23772688) is ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate.
What is the SMILES notation for ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate?
The canonical SMILES for ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate is CCOC(=O)c1ccc(N2C(=O)CC(N(CCN3CCOCC3)S(=O)(=O)c3cccs3)C2=O)cc1.
What is the InChIKey of ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate?
The InChIKey is LIQSDGDWNDHUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O7S2/c1-2-33-23(29)17-5-7-18(8-6-17)26-20(27)16-19(22(26)28)25(10-9-24-11-13-32-14-12-24)35(30,31)21-4-3-15-34-21/h3-8,15,19H,2,9-14,16H2,1H3.
What are the key properties of ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate?
ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate has a molecular weight of 521.62 g/mol, XLogP of 1.58, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-[2-morpholin-4-ylethyl(thiophen-2-ylsulfonyl)amino]-2,5-dioxopyrrolidin-1-yl]benzoate is sourced from PubChem (CID 23772688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).