[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate

C19H21FN2O6S — CID 55323696

IUPAC[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)OC(C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O6S/c1-12(22-29(25,26)15-10-8-14(27-3)9-11-15)19(24)28-13(2)18(23)21-17-7-5-4-6-16(17)20/h4-13,22H,1-3H3,(H,21,23)
InChIKeyKVVAPJNLFWGEBY-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.07
Rot. Bonds8

About [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate

[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate (PubChem CID 55323696) has the molecular formula C19H21FN2O6S and a molecular weight of 424.45 g/mol. Its IUPAC name is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
PubChem CID55323696
Molecular FormulaC19H21FN2O6S
Molecular Weight424.45 g/mol
Exact Mass424.11
IUPAC Name[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)OC(C)C(=O)Nc2ccccc2F)cc1
InChIInChI=1S/C19H21FN2O6S/c1-12(22-29(25,26)15-10-8-14(27-3)9-11-15)19(24)28-13(2)18(23)21-17-7-5-4-6-16(17)20/h4-13,22H,1-3H3,(H,21,23)
InChIKeyKVVAPJNLFWGEBY-UHFFFAOYSA-N
XLogP2.07
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate with MolForge

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Related Compounds

[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55937037
(1-anilino-1-oxopropan-2-yl) (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55928591
[1-oxo-1-(propan-2-ylamino)propan-2-yl] (2S)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 55927675
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate
CID 55326484
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] (2S)-2-[(4-fluorophenyl)sulfonylamino]propanoate
CID 7609248
[1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)propanoate
CID 55326441
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 46790194
(2S)-N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 124549862
N-(4-bromo-2-fluorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3943319
2-[(4-acetylphenyl)sulfonylamino]-N-(2-fluorophenyl)propanamide
CID 110408013
2-[(4-methoxyphenyl)sulfonylamino]-N-phenylpropanamide
CID 2980013
[(2R)-1-anilino-1-oxopropan-2-yl] (2S)-2-[(4-acetylphenyl)sulfonylamino]propanoate
CID 8939352

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The IUPAC name of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate (CID 55323696) is [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate.
What is the SMILES notation for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The canonical SMILES for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate is COc1ccc(S(=O)(=O)NC(C)C(=O)OC(C)C(=O)Nc2ccccc2F)cc1.
What is the InChIKey of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate?
The InChIKey is KVVAPJNLFWGEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O6S/c1-12(22-29(25,26)15-10-8-14(27-3)9-11-15)19(24)28-13(2)18(23)21-17-7-5-4-6-16(17)20/h4-13,22H,1-3H3,(H,21,23).
What are the key properties of [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate?
[1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate has a molecular weight of 424.45 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-[(4-methoxyphenyl)sulfonylamino]propanoate is sourced from PubChem (CID 55323696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).