[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

C19H20FN3O6S — CID 2551031

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H20FN3O6S/c1-12(23-30(27,28)17-6-4-3-5-16(17)20)19(26)29-11-18(25)22-15-9-7-14(8-10-15)21-13(2)24/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyOBOFHVBPBPBPLA-LBPRGKRZSA-N
MW437.45 g/mol
LogP1.63
Rot. Bonds8

About [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate

[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (PubChem CID 2551031) has the molecular formula C19H20FN3O6S and a molecular weight of 437.45 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
PubChem CID2551031
Molecular FormulaC19H20FN3O6S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1
InChIInChI=1S/C19H20FN3O6S/c1-12(23-30(27,28)17-6-4-3-5-16(17)20)19(26)29-11-18(25)22-15-9-7-14(8-10-15)21-13(2)24/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1
InChIKeyOBOFHVBPBPBPLA-LBPRGKRZSA-N
XLogP1.63
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849406
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)propanoate
CID 55927755
[2-(4-fluoroanilino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324414
[2-(4-chloroanilino)-2-oxoethyl] 2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55324744
[2-oxo-2-(pentan-3-ylamino)ethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849451
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanoate
CID 55927425
[2-(2,4-dimethylanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849421
[2-(4-methylanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]-3-phenylpropanoate
CID 55943914
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849453
cyanomethyl (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate
CID 8849356
(2S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-[(2-fluorophenyl)sulfonylamino]propanamide
CID 55959790
methyl 4-[[2-[(2S)-2-(benzenesulfonamido)propanoyl]oxyacetyl]amino]benzoate
CID 55937437

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate (CID 2551031) is [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is CC(=O)Nc1ccc(NC(=O)COC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
The InChIKey is OBOFHVBPBPBPLA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H20FN3O6S/c1-12(23-30(27,28)17-6-4-3-5-16(17)20)19(26)29-11-18(25)22-15-9-7-14(8-10-15)21-13(2)24/h3-10,12,23H,11H2,1-2H3,(H,21,24)(H,22,25)/t12-/m0/s1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate?
[2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate has a molecular weight of 437.45 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] (2S)-2-[(2-fluorophenyl)sulfonylamino]propanoate is sourced from PubChem (CID 2551031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).