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

C15H11F4NOS — CID 24500478

IUPACN-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F4NOS/c1-8(22-10-3-5-12(17)14(19)7-10)15(21)20-9-2-4-11(16)13(18)6-9/h2-8H,1H3,(H,20,21)
InChIKeyDHEYJUAXKBJWCE-UHFFFAOYSA-N
MW329.32 g/mol
LogP4.36
Rot. Bonds4

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

N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (PubChem CID 24500478) has the molecular formula C15H11F4NOS and a molecular weight of 329.32 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
PubChem CID24500478
Molecular FormulaC15H11F4NOS
Molecular Weight329.32 g/mol
Exact Mass329.05
IUPAC NameN-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
SMILESCC(Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H11F4NOS/c1-8(22-10-3-5-12(17)14(19)7-10)15(21)20-9-2-4-11(16)13(18)6-9/h2-8H,1H3,(H,20,21)
InChIKeyDHEYJUAXKBJWCE-UHFFFAOYSA-N
XLogP4.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055622
(2S)-N-(3,4-difluorophenyl)-2-phenylsulfanylpropanamide
CID 970786
2-(3,4-difluorophenyl)sulfanyl-N-phenylpropanamide
CID 47114263
(2R)-N-(3,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 26373927
2-(3,4-difluorophenyl)sulfanyl-N-(4-fluoro-3-nitrophenyl)propanamide
CID 55387447
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7737171
(2R)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9310323
(2S)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737187
(2R)-2-(3,4-difluorophenyl)sulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 7737186
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 43093514
2-(4-chlorophenyl)sulfanyl-N-(3,5-difluorophenyl)propanamide
CID 24556344

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide (CID 24500478) is N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is CC(Sc1ccc(F)c(F)c1)C(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
The InChIKey is DHEYJUAXKBJWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4NOS/c1-8(22-10-3-5-12(17)14(19)7-10)15(21)20-9-2-4-11(16)13(18)6-9/h2-8H,1H3,(H,20,21).
What are the key properties of N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide?
N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide has a molecular weight of 329.32 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-(3,4-difluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 24500478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).