[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate

C18H19N3O6S2 — CID 43065278

IUPAC[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cccs1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H19N3O6S2/c22-15(12-27-17(24)11-19-29(25,26)18-7-3-9-28-18)20-13-4-1-5-14(10-13)21-8-2-6-16(21)23/h1,3-5,7,9-10,19H,2,6,8,11-12H2,(H,20,22)
InChIKeyBFYOKOVYVSCBKI-UHFFFAOYSA-N
MW437.50 g/mol
LogP1.34
Rot. Bonds8

About [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate (PubChem CID 43065278) has the molecular formula C18H19N3O6S2 and a molecular weight of 437.50 g/mol. Its IUPAC name is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate.

Molecular Properties

Compound Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
PubChem CID43065278
Molecular FormulaC18H19N3O6S2
Molecular Weight437.50 g/mol
Exact Mass437.07
IUPAC Name[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate
SMILESO=C(COC(=O)CNS(=O)(=O)c1cccs1)Nc1cccc(N2CCCC2=O)c1
InChIInChI=1S/C18H19N3O6S2/c22-15(12-27-17(24)11-19-29(25,26)18-7-3-9-28-18)20-13-4-1-5-14(10-13)21-8-2-6-16(21)23/h1,3-5,7,9-10,19H,2,6,8,11-12H2,(H,20,22)
InChIKeyBFYOKOVYVSCBKI-UHFFFAOYSA-N
XLogP1.34
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-cyclohexylbutanoate
CID 24567250
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-[(3-chloro-1-benzothiophene-2-carbonyl)amino]acetate
CID 41446737
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 4-(hydroxymethyl)benzoate
CID 36572037
[2-(4-methyl-3-nitroanilino)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)acetate
CID 46458891
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-methoxy-5-methylbenzoate
CID 36707531
[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-thiophen-2-ylpropanoate
CID 8601952
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-acetamido-1,3-thiazole-4-carboxylate
CID 46604753
3-[(4-methoxyphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 24644663
2-(4-methoxyphenoxy)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687689
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(thiophen-2-ylsulfonylamino)acetamide
CID 55993123

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The IUPAC name of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate (CID 43065278) is [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate.
What is the SMILES notation for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The canonical SMILES for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate is O=C(COC(=O)CNS(=O)(=O)c1cccs1)Nc1cccc(N2CCCC2=O)c1.
What is the InChIKey of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
The InChIKey is BFYOKOVYVSCBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6S2/c22-15(12-27-17(24)11-19-29(25,26)18-7-3-9-28-18)20-13-4-1-5-14(10-13)21-8-2-6-16(21)23/h1,3-5,7,9-10,19H,2,6,8,11-12H2,(H,20,22).
What are the key properties of [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate?
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate has a molecular weight of 437.50 g/mol, XLogP of 1.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(thiophen-2-ylsulfonylamino)acetate is sourced from PubChem (CID 43065278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).