[2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

C19H18FNO5S — CID 8676077

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)OCC(=O)c1cccc(F)c1
InChIInChI=1S/C19H18FNO5S/c20-17-8-4-7-16(13-17)18(22)14-26-19(23)9-11-21-27(24,25)12-10-15-5-2-1-3-6-15/h1-8,10,12-13,21H,9,11,14H2/b12-10+
InChIKeyMVFHHWZJJBSXQP-ZRDIBKRKSA-N
MW391.42 g/mol
LogP2.53
Rot. Bonds9

About [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate

[2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate (PubChem CID 8676077) has the molecular formula C19H18FNO5S and a molecular weight of 391.42 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
PubChem CID8676077
Molecular FormulaC19H18FNO5S
Molecular Weight391.42 g/mol
Exact Mass391.09
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
SMILESO=C(CCNS(=O)(=O)/C=C/c1ccccc1)OCC(=O)c1cccc(F)c1
InChIInChI=1S/C19H18FNO5S/c20-17-8-4-7-16(13-17)18(22)14-26-19(23)9-11-21-27(24,25)12-10-15-5-2-1-3-6-15/h1-8,10,12-13,21H,9,11,14H2/b12-10+
InChIKeyMVFHHWZJJBSXQP-ZRDIBKRKSA-N
XLogP2.53
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-fluorophenyl)-2-oxoethyl] 3-(naphthalen-2-ylsulfonylamino)propanoate
CID 8676628
[2-(4-ethylphenyl)-2-oxoethyl] 2-[[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 7826850
phenacyl 2-[2-(4-methylphenyl)ethenylsulfonylamino]acetate
CID 71954263
2-(2-methylphenoxy)ethyl 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate
CID 7827992
[2-(3-fluorophenyl)-2-oxoethyl] 3-[(2-methoxybenzoyl)amino]propanoate
CID 8676064
[2-(3-fluorophenyl)-2-oxoethyl] 4-[(3,4-dimethylphenyl)sulfonylamino]butanoate
CID 8676797
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-[[(E)-2-phenylethenyl]sulfonylamino]propanamide
CID 9439731
(E)-N-(2-aminoethyl)-2-phenylethenesulfonamide
CID 43603519
[2-(4-methylanilino)-2-oxoethyl] 3-[[(E)-2-(4-methylphenyl)ethenyl]sulfonylamino]propanoate
CID 9066471
[2-(3-fluorophenyl)-2-oxoethyl] 1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxylate
CID 8676972
(2-phenyl-1,3-thiazol-4-yl)methyl 3-(2-phenylethenylsulfonylamino)propanoate
CID 4797496
phenacyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate
CID 7978357

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate (CID 8676077) is [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate is O=C(CCNS(=O)(=O)/C=C/c1ccccc1)OCC(=O)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate?
The InChIKey is MVFHHWZJJBSXQP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H18FNO5S/c20-17-8-4-7-16(13-17)18(22)14-26-19(23)9-11-21-27(24,25)12-10-15-5-2-1-3-6-15/h1-8,10,12-13,21H,9,11,14H2/b12-10+.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate?
[2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate has a molecular weight of 391.42 g/mol, XLogP of 2.53, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 3-[[(E)-2-phenylethenyl]sulfonylamino]propanoate is sourced from PubChem (CID 8676077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).