2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide

C16H14F2N2O2S — CID 9412404

IUPAC2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide
SMILESO=C(CSCC(=O)Nc1ccccc1F)Nc1cccc(F)c1
InChIInChI=1S/C16H14F2N2O2S/c17-11-4-3-5-12(8-11)19-15(21)9-23-10-16(22)20-14-7-2-1-6-13(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyBSXBMJMFDWZOOW-UHFFFAOYSA-N
MW336.36 g/mol
LogP3.28
Rot. Bonds6

About 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide

2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide (PubChem CID 9412404) has the molecular formula C16H14F2N2O2S and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide
PubChem CID9412404
Molecular FormulaC16H14F2N2O2S
Molecular Weight336.36 g/mol
Exact Mass336.07
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide
SMILESO=C(CSCC(=O)Nc1ccccc1F)Nc1cccc(F)c1
InChIInChI=1S/C16H14F2N2O2S/c17-11-4-3-5-12(8-11)19-15(21)9-23-10-16(22)20-14-7-2-1-6-13(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyBSXBMJMFDWZOOW-UHFFFAOYSA-N
XLogP3.28
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide (CID 9412404) is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide is O=C(CSCC(=O)Nc1ccccc1F)Nc1cccc(F)c1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide?
The InChIKey is BSXBMJMFDWZOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2S/c17-11-4-3-5-12(8-11)19-15(21)9-23-10-16(22)20-14-7-2-1-6-13(14)18/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide?
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide has a molecular weight of 336.36 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 9412404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).