[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

C19H19FN2O4S — CID 7650869

IUPAC[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)CCSc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O4S/c1-13(23)21-15-3-2-4-16(11-15)22-18(24)12-26-19(25)9-10-27-17-7-5-14(20)6-8-17/h2-8,11H,9-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyDFFMLNXGQNORCP-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.45
Rot. Bonds8

About [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate

[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (PubChem CID 7650869) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.

Molecular Properties

Compound Name[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
PubChem CID7650869
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
SMILESCC(=O)Nc1cccc(NC(=O)COC(=O)CCSc2ccc(F)cc2)c1
InChIInChI=1S/C19H19FN2O4S/c1-13(23)21-15-3-2-4-16(11-15)22-18(24)12-26-19(25)9-10-27-17-7-5-14(20)6-8-17/h2-8,11H,9-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyDFFMLNXGQNORCP-UHFFFAOYSA-N
XLogP3.45
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The IUPAC name of [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate (CID 7650869) is [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate.
What is the SMILES notation for [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The canonical SMILES for [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is CC(=O)Nc1cccc(NC(=O)COC(=O)CCSc2ccc(F)cc2)c1.
What is the InChIKey of [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
The InChIKey is DFFMLNXGQNORCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-13(23)21-15-3-2-4-16(11-15)22-18(24)12-26-19(25)9-10-27-17-7-5-14(20)6-8-17/h2-8,11H,9-10,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate?
[2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate has a molecular weight of 390.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetamidoanilino)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate is sourced from PubChem (CID 7650869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).