2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide

C17H17FN2O2S — CID 806776

IUPAC2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCc1c(F)cccc1NC(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17FN2O2S/c1-12-14(18)8-5-9-15(12)20-17(22)11-23-10-16(21)19-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOVQFSLFFAIGUOG-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.44
Rot. Bonds6

About 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide

2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide (PubChem CID 806776) has the molecular formula C17H17FN2O2S and a molecular weight of 332.40 g/mol. Its IUPAC name is 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
PubChem CID806776
Molecular FormulaC17H17FN2O2S
Molecular Weight332.40 g/mol
Exact Mass332.10
IUPAC Name2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide
SMILESCc1c(F)cccc1NC(=O)CSCC(=O)Nc1ccccc1
InChIInChI=1S/C17H17FN2O2S/c1-12-14(18)8-5-9-15(12)20-17(22)11-23-10-16(21)19-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOVQFSLFFAIGUOG-UHFFFAOYSA-N
XLogP3.44
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The IUPAC name of 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide (CID 806776) is 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide.
What is the SMILES notation for 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The canonical SMILES for 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide is Cc1c(F)cccc1NC(=O)CSCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
The InChIKey is OVQFSLFFAIGUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2S/c1-12-14(18)8-5-9-15(12)20-17(22)11-23-10-16(21)19-13-6-3-2-4-7-13/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide?
2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide has a molecular weight of 332.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-2-methylanilino)-2-oxoethyl]sulfanyl-N-phenylacetamide is sourced from PubChem (CID 806776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).