2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide

C20H17FN2O2S — CID 1116758

IUPAC2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1F)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17FN2O2S/c21-17-7-3-4-8-18(17)23-20(25)13-26-12-19(24)22-16-10-9-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyWRWYNJOZJOWFFI-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.29
Rot. Bonds6

About 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide

2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide (PubChem CID 1116758) has the molecular formula C20H17FN2O2S and a molecular weight of 368.43 g/mol. Its IUPAC name is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
PubChem CID1116758
Molecular FormulaC20H17FN2O2S
Molecular Weight368.43 g/mol
Exact Mass368.10
IUPAC Name2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide
SMILESO=C(CSCC(=O)Nc1ccccc1F)Nc1ccc2ccccc2c1
InChIInChI=1S/C20H17FN2O2S/c21-17-7-3-4-8-18(17)23-20(25)13-26-12-19(24)22-16-10-9-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2,(H,22,24)(H,23,25)
InChIKeyWRWYNJOZJOWFFI-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.29
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-naphthalen-2-ylacetamide?
The IUPAC name of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide (CID 1116758) is 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide is O=C(CSCC(=O)Nc1ccccc1F)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
The InChIKey is WRWYNJOZJOWFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2S/c21-17-7-3-4-8-18(17)23-20(25)13-26-12-19(24)22-16-10-9-14-5-1-2-6-15(14)11-16/h1-11H,12-13H2,(H,22,24)(H,23,25).
What are the key properties of 2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide?
2-[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl-N-naphthalen-2-ylacetamide has a molecular weight of 368.43 g/mol, XLogP of 4.29, 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-naphthalen-2-ylacetamide is sourced from PubChem (CID 1116758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).