N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide

C17H16F3NOS — CID 55593466

IUPACN-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCCN(C(=O)CCSc1ccccc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F3NOS/c1-2-21(12-7-8-13(18)15(20)11-12)17(22)9-10-23-16-6-4-3-5-14(16)19/h3-8,11H,2,9-10H2,1H3
InChIKeyKKJZHVAPEVYKTP-UHFFFAOYSA-N
MW339.38 g/mol
LogP4.64
Rot. Bonds6

About N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide

N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide (PubChem CID 55593466) has the molecular formula C17H16F3NOS and a molecular weight of 339.38 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
PubChem CID55593466
Molecular FormulaC17H16F3NOS
Molecular Weight339.38 g/mol
Exact Mass339.09
IUPAC NameN-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide
SMILESCCN(C(=O)CCSc1ccccc1F)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F3NOS/c1-2-21(12-7-8-13(18)15(20)11-12)17(22)9-10-23-16-6-4-3-5-14(16)19/h3-8,11H,2,9-10H2,1H3
InChIKeyKKJZHVAPEVYKTP-UHFFFAOYSA-N
XLogP4.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide (CID 55593466) is N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide is CCN(C(=O)CCSc1ccccc1F)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide?
The InChIKey is KKJZHVAPEVYKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NOS/c1-2-21(12-7-8-13(18)15(20)11-12)17(22)9-10-23-16-6-4-3-5-14(16)19/h3-8,11H,2,9-10H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide?
N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide has a molecular weight of 339.38 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-ethyl-3-(2-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 55593466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).