3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide

C17H16F2N2O2S — CID 17442315

IUPAC3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2S/c18-12-1-5-14(6-2-12)21(10-9-16(20)22)17(23)11-24-15-7-3-13(19)4-8-15/h1-8H,9-11H2,(H2,20,22)
InChIKeyVVRAIUFGZNZHEH-UHFFFAOYSA-N
MW350.39 g/mol
LogP2.97
Rot. Bonds7

About 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide

3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide (PubChem CID 17442315) has the molecular formula C17H16F2N2O2S and a molecular weight of 350.39 g/mol. Its IUPAC name is 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide.

Molecular Properties

Compound Name3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide
PubChem CID17442315
Molecular FormulaC17H16F2N2O2S
Molecular Weight350.39 g/mol
Exact Mass350.09
IUPAC Name3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide
SMILESNC(=O)CCN(C(=O)CSc1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H16F2N2O2S/c18-12-1-5-14(6-2-12)21(10-9-16(20)22)17(23)11-24-15-7-3-13(19)4-8-15/h1-8H,9-11H2,(H2,20,22)
InChIKeyVVRAIUFGZNZHEH-UHFFFAOYSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide?
The IUPAC name of 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide (CID 17442315) is 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide.
What is the SMILES notation for 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide?
The canonical SMILES for 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide is NC(=O)CCN(C(=O)CSc1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide?
The InChIKey is VVRAIUFGZNZHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N2O2S/c18-12-1-5-14(6-2-12)21(10-9-16(20)22)17(23)11-24-15-7-3-13(19)4-8-15/h1-8H,9-11H2,(H2,20,22).
What are the key properties of 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide?
3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide has a molecular weight of 350.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-N-[2-(4-fluorophenyl)sulfanylacetyl]anilino)propanamide is sourced from PubChem (CID 17442315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).