[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate

C15H19N3O5S — CID 9458294

IUPAC[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESCC(C)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H19N3O5S/c1-10(2)18-15(20)11(3)23-14(19)9-17-24(21,22)13-7-5-4-6-12(13)8-16/h4-7,10-11,17H,9H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyPBPYIOFYVZUQIN-NSHDSACASA-N
MW353.40 g/mol
LogP0.29
Rot. Bonds7

About [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate

[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate (PubChem CID 9458294) has the molecular formula C15H19N3O5S and a molecular weight of 353.40 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
PubChem CID9458294
Molecular FormulaC15H19N3O5S
Molecular Weight353.40 g/mol
Exact Mass353.10
IUPAC Name[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
SMILESCC(C)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C15H19N3O5S/c1-10(2)18-15(20)11(3)23-14(19)9-17-24(21,22)13-7-5-4-6-12(13)8-16/h4-7,10-11,17H,9H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyPBPYIOFYVZUQIN-NSHDSACASA-N
XLogP0.29
TPSA125.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate with MolForge

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Related Compounds

[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653682
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653269
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653300
2-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712533
[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 8601310
2-[(2-cyanophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 9410013
(2-oxo-2-piperidin-1-ylethyl) 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653662
[2-(N-methylanilino)-2-oxoethyl] 2-[(2-cyanophenyl)sulfonylamino]acetate
CID 7653528
N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753551
2-(2-cyanophenyl)sulfonyl-N-propan-2-ylbenzamide
CID 1471309
2-[(2-cyanophenyl)sulfonylamino]-N-(4-ethoxyphenyl)acetamide
CID 9410662
[(2R)-2-[[2-[(2-cyanophenyl)sulfonylamino]acetyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937621

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The IUPAC name of [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate (CID 9458294) is [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate.
What is the SMILES notation for [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The canonical SMILES for [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate is CC(C)NC(=O)[C@H](C)OC(=O)CNS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
The InChIKey is PBPYIOFYVZUQIN-NSHDSACASA-N. The full InChI is InChI=1S/C15H19N3O5S/c1-10(2)18-15(20)11(3)23-14(19)9-17-24(21,22)13-7-5-4-6-12(13)8-16/h4-7,10-11,17H,9H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate?
[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate has a molecular weight of 353.40 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-[(2-cyanophenyl)sulfonylamino]acetate is sourced from PubChem (CID 9458294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).