[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

C16H23FN2O5S — CID 8849451

IUPAC[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESCCC(CC)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H23FN2O5S/c1-4-12(5-2)18-15(20)10-24-16(21)11(3)19-25(22,23)14-9-7-6-8-13(14)17/h6-9,11-12,19H,4-5,10H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyAKXAPAYKNTWRMR-NSHDSACASA-N
MW374.43 g/mol
LogP1.34
Rot. Bonds9

About [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 8849451) has the molecular formula C16H23FN2O5S and a molecular weight of 374.43 g/mol. Its IUPAC name is [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
PubChem CID8849451
Molecular FormulaC16H23FN2O5S
Molecular Weight374.43 g/mol
Exact Mass374.13
IUPAC Name[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESCCC(CC)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C16H23FN2O5S/c1-4-12(5-2)18-15(20)10-24-16(21)11(3)19-25(22,23)14-9-7-6-8-13(14)17/h6-9,11-12,19H,4-5,10H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyAKXAPAYKNTWRMR-NSHDSACASA-N
XLogP1.34
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 2551031
[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 26535267
[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849406
[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324470
[2-(2,4-dimethylanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849421
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849453
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849356
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849505
2-(2-fluorophenyl)sulfonyl-N-pentan-3-ylacetamide
CID 47218676
[2-(4-chloroanilino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324744
cyclohexylmethyl (2R)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 25499350
[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 40943304

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (CID 8849451) is [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is CCC(CC)NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is AKXAPAYKNTWRMR-NSHDSACASA-N. The full InChI is InChI=1S/C16H23FN2O5S/c1-4-12(5-2)18-15(20)10-24-16(21)11(3)19-25(22,23)14-9-7-6-8-13(14)17/h6-9,11-12,19H,4-5,10H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 374.43 g/mol, XLogP of 1.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 8849451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).