[2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate

C14H19FN2O6S — CID 7563253

IUPAC[2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)N(C)C
InChIInChI=1S/C14H19FN2O6S/c1-9(18)13(14(20)23-8-12(19)17(2)3)16-24(21,22)11-6-4-10(15)5-7-11/h4-7,9,13,16,18H,8H2,1-3H3/t9-,13+/m1/s1
InChIKeyFHIPUIRBXLQUIR-RNCFNFMXSA-N
MW362.38 g/mol
LogP-0.52
Rot. Bonds7

About [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate

[2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate (PubChem CID 7563253) has the molecular formula C14H19FN2O6S and a molecular weight of 362.38 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
PubChem CID7563253
Molecular FormulaC14H19FN2O6S
Molecular Weight362.38 g/mol
Exact Mass362.09
IUPAC Name[2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
SMILESC[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)N(C)C
InChIInChI=1S/C14H19FN2O6S/c1-9(18)13(14(20)23-8-12(19)17(2)3)16-24(21,22)11-6-4-10(15)5-7-11/h4-7,9,13,16,18H,8H2,1-3H3/t9-,13+/m1/s1
InChIKeyFHIPUIRBXLQUIR-RNCFNFMXSA-N
XLogP-0.52
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate with MolForge

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] (2R,3S)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 7169342
(2-amino-2-oxoethyl) (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 7563407
[2-(4-fluorophenyl)-2-oxoethyl] (2R,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 126010766
[2-(4-fluorophenyl)-2-oxoethyl] (2S,3R)-3-methyl-2-[(4-methylphenyl)sulfonylamino]pentanoate
CID 126010775
(2R,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-methylpentanoate
CID 6935683
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (2S,3S)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 40940688
[2-[di(propan-2-yl)amino]-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate
CID 8843884
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2R)-2-(benzenesulfonamido)-3-methylbutanoate
CID 2606177
methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
4-fluoro-N-(2-hydroxy-2,4-dimethylhexan-3-yl)benzenesulfonamide
CID 21078753
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
(2S)-2-amino-3-[(4-fluorophenyl)sulfonylamino]butanedioic acid
CID 134157558

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate (CID 7563253) is [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate is C[C@@H](O)[C@H](NS(=O)(=O)c1ccc(F)cc1)C(=O)OCC(=O)N(C)C.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate?
The InChIKey is FHIPUIRBXLQUIR-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H19FN2O6S/c1-9(18)13(14(20)23-8-12(19)17(2)3)16-24(21,22)11-6-4-10(15)5-7-11/h4-7,9,13,16,18H,8H2,1-3H3/t9-,13+/m1/s1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate?
[2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate has a molecular weight of 362.38 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl] (2S,3R)-2-[(4-fluorophenyl)sulfonylamino]-3-hydroxybutanoate is sourced from PubChem (CID 7563253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).