[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate

C18H19FN2O6S — CID 7883744

IUPAC[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESC[C@@H](OC(=O)CONS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19FN2O6S/c1-13(18(23)21(2)15-6-4-3-5-7-15)27-17(22)12-26-20-28(24,25)16-10-8-14(19)9-11-16/h3-11,13,20H,12H2,1-2H3/t13-/m1/s1
InChIKeyJOAGKJZYWMBCMG-CYBMUJFWSA-N
MW410.42 g/mol
LogP1.63
Rot. Bonds8

About [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate

[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate (PubChem CID 7883744) has the molecular formula C18H19FN2O6S and a molecular weight of 410.42 g/mol. Its IUPAC name is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.

Molecular Properties

Compound Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
PubChem CID7883744
Molecular FormulaC18H19FN2O6S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate
SMILESC[C@@H](OC(=O)CONS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)c1ccccc1
InChIInChI=1S/C18H19FN2O6S/c1-13(18(23)21(2)15-6-4-3-5-7-15)27-17(22)12-26-20-28(24,25)16-10-8-14(19)9-11-16/h3-11,13,20H,12H2,1-2H3/t13-/m1/s1
InChIKeyJOAGKJZYWMBCMG-CYBMUJFWSA-N
XLogP1.63
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(N-methylanilino)-1-oxopropan-2-yl] 3-[(4-chlorophenyl)sulfonylamino]propanoate
CID 18269031
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525751
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234535
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2602068
2-[(4-fluorophenyl)sulfonylamino]oxyacetate
CID 2529382
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] pyridine-4-carboxylate
CID 2626159
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 7839766
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880467
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-propanoylphenoxy)acetate
CID 9326463
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(2-iodobenzoyl)amino]acetate
CID 55307491
2-[1-(4-fluoro-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 166249701

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The IUPAC name of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate (CID 7883744) is [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate.
What is the SMILES notation for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The canonical SMILES for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is C[C@@H](OC(=O)CONS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)c1ccccc1.
What is the InChIKey of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
The InChIKey is JOAGKJZYWMBCMG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19FN2O6S/c1-13(18(23)21(2)15-6-4-3-5-7-15)27-17(22)12-26-20-28(24,25)16-10-8-14(19)9-11-16/h3-11,13,20H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate?
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate has a molecular weight of 410.42 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-[(4-fluorophenyl)sulfonylamino]oxyacetate is sourced from PubChem (CID 7883744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).