[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate

C18H23N3O7S — CID 3000207

IUPAC[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CCC(=O)N2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H23N3O7S/c1-12-2-3-13(15(10-12)29(25,26)21-6-8-27-9-7-21)19-17(23)11-28-18(24)14-4-5-16(22)20-14/h2-3,10,14H,4-9,11H2,1H3,(H,19,23)(H,20,22)
InChIKeyCUJMDJIWCXFRJW-UHFFFAOYSA-N
MW425.46 g/mol
LogP-0.22
Rot. Bonds6

About [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate

[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate (PubChem CID 3000207) has the molecular formula C18H23N3O7S and a molecular weight of 425.46 g/mol. Its IUPAC name is [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
PubChem CID3000207
Molecular FormulaC18H23N3O7S
Molecular Weight425.46 g/mol
Exact Mass425.13
IUPAC Name[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CCC(=O)N2)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C18H23N3O7S/c1-12-2-3-13(15(10-12)29(25,26)21-6-8-27-9-7-21)19-17(23)11-28-18(24)14-4-5-16(22)20-14/h2-3,10,14H,4-9,11H2,1H3,(H,19,23)(H,20,22)
InChIKeyCUJMDJIWCXFRJW-UHFFFAOYSA-N
XLogP-0.22
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
CID 6591243
[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4574356
[2-(2-methoxy-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 24686157
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 4-morpholin-4-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 32557563
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] (2R)-5-oxopyrrolidine-2-carboxylate
CID 7811577
[2-(2-bromoanilino)-2-oxoethyl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 2412660
[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42962828
[2-(4-methyl-2-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-hydroxy-6-oxo-1H-pyridine-4-carboxylate
CID 23799275
2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-methyl-2-morpholin-4-ylsulfonylphenyl)acetamide
CID 2357853
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 55316026
[2-(4-methoxy-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2,5-dimethylbenzoate
CID 42963866
[2-(2-methyl-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-cyclopentylacetate
CID 7722474

Frequently Asked Questions

What is the IUPAC name of [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
The IUPAC name of [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate (CID 3000207) is [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate is Cc1ccc(NC(=O)COC(=O)C2CCC(=O)N2)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
The InChIKey is CUJMDJIWCXFRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O7S/c1-12-2-3-13(15(10-12)29(25,26)21-6-8-27-9-7-21)19-17(23)11-28-18(24)14-4-5-16(22)20-14/h2-3,10,14H,4-9,11H2,1H3,(H,19,23)(H,20,22).
What are the key properties of [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate?
[2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate has a molecular weight of 425.46 g/mol, XLogP of -0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methyl-2-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 3000207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).