[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate

C20H22N2O7S — CID 42971861

IUPAC[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1ccco1)C(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H22N2O7S/c1-14(21-19(24)18-5-4-12-28-18)20(25)29-13-17(23)15-6-8-16(9-7-15)30(26,27)22-10-2-3-11-22/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,21,24)
InChIKeyCQURNKBOSALIII-UHFFFAOYSA-N
MW434.47 g/mol
LogP1.61
Rot. Bonds8

About [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate (PubChem CID 42971861) has the molecular formula C20H22N2O7S and a molecular weight of 434.47 g/mol. Its IUPAC name is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate
PubChem CID42971861
Molecular FormulaC20H22N2O7S
Molecular Weight434.47 g/mol
Exact Mass434.11
IUPAC Name[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate
SMILESCC(NC(=O)c1ccco1)C(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C20H22N2O7S/c1-14(21-19(24)18-5-4-12-28-18)20(25)29-13-17(23)15-6-8-16(9-7-15)30(26,27)22-10-2-3-11-22/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,21,24)
InChIKeyCQURNKBOSALIII-UHFFFAOYSA-N
XLogP1.61
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] (2R)-2-(furan-2-carbonylamino)propanoate
CID 40834225
N-[(1S)-2-methyl-1-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]propyl]furan-2-carboxamide
CID 92501919
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] (2R)-2-phenoxypropanoate
CID 8790952
N-[1-oxo-1-[5-pyrrolidin-1-ylsulfonyl-2-(2,2,2-trifluoroethoxy)anilino]propan-2-yl]furan-2-carboxamide
CID 4885012
N-[(2S)-1-[4-(4-benzylpiperidin-1-yl)sulfonylanilino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 26007431
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl] furan-2-carboxylate
CID 2715180
N-[3-oxo-3-[2-(4-pyrrolidin-1-ylsulfonylbenzoyl)hydrazinyl]propyl]furan-2-carboxamide
CID 27685933
[1-(azepan-1-yl)-1-oxopropan-2-yl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18280287
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)propanoate
CID 18285342
N-[2-(furan-2-carbonylamino)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 38225023
furan-2-ylmethyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2683146
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate?
The IUPAC name of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate (CID 42971861) is [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate?
The canonical SMILES for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate is CC(NC(=O)c1ccco1)C(=O)OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate?
The InChIKey is CQURNKBOSALIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O7S/c1-14(21-19(24)18-5-4-12-28-18)20(25)29-13-17(23)15-6-8-16(9-7-15)30(26,27)22-10-2-3-11-22/h4-9,12,14H,2-3,10-11,13H2,1H3,(H,21,24).
What are the key properties of [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate?
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate has a molecular weight of 434.47 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 2-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 42971861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).