[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

C22H25N3O7S — CID 55936226

IUPAC[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1
InChIInChI=1S/C22H25N3O7S/c1-15(24-33(29,30)17-11-9-16(31-2)10-12-17)22(28)32-14-20(26)23-18-6-3-4-7-19(18)25-13-5-8-21(25)27/h3-4,6-7,9-12,15,24H,5,8,13-14H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyNZOCLXOMEMGILP-HNNXBMFYSA-N
MW475.52 g/mol
LogP1.67
Rot. Bonds9

About [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 55936226) has the molecular formula C22H25N3O7S and a molecular weight of 475.52 g/mol. Its IUPAC name is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID55936226
Molecular FormulaC22H25N3O7S
Molecular Weight475.52 g/mol
Exact Mass475.14
IUPAC Name[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1
InChIInChI=1S/C22H25N3O7S/c1-15(24-33(29,30)17-11-9-16(31-2)10-12-17)22(28)32-14-20(26)23-18-6-3-4-7-19(18)25-13-5-8-21(25)27/h3-4,6-7,9-12,15,24H,5,8,13-14H2,1-2H3,(H,23,26)/t15-/m0/s1
InChIKeyNZOCLXOMEMGILP-HNNXBMFYSA-N
XLogP1.67
TPSA131.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2-(4-methylphenoxy)propanoate
CID 46669351
[2-[2-(4-methylphenoxy)anilino]-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 42463282
[2-oxo-2-(4-phenoxyanilino)ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927905
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323630
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate
CID 55936388
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927809
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
[2-(cyclohexylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323906
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55323822
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 8843274
[2-(3-acetylanilino)-2-oxoethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928378
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 55936058

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 55936226) is [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc2ccccc2N2CCCC2=O)cc1.
What is the InChIKey of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is NZOCLXOMEMGILP-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N3O7S/c1-15(24-33(29,30)17-11-9-16(31-2)10-12-17)22(28)32-14-20(26)23-18-6-3-4-7-19(18)25-13-5-8-21(25)27/h3-4,6-7,9-12,15,24H,5,8,13-14H2,1-2H3,(H,23,26)/t15-/m0/s1.
What are the key properties of [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate?
[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 475.52 g/mol, XLogP of 1.67, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55936226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).