2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide

C16H14F3NOS — CID 18122585

IUPAC2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
SMILESCCC(Sc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14F3NOS/c1-2-14(22-15-8-5-11(18)9-13(15)19)16(21)20-12-6-3-10(17)4-7-12/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyOFKNKLVIBHMUJI-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.61
Rot. Bonds5

About 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide

2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide (PubChem CID 18122585) has the molecular formula C16H14F3NOS and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
PubChem CID18122585
Molecular FormulaC16H14F3NOS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
SMILESCCC(Sc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H14F3NOS/c1-2-14(22-15-8-5-11(18)9-13(15)19)16(21)20-12-6-3-10(17)4-7-12/h3-9,14H,2H2,1H3,(H,20,21)
InChIKeyOFKNKLVIBHMUJI-UHFFFAOYSA-N
XLogP4.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-4-fluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide
CID 18275938
2-(2,4-difluorophenyl)sulfanylbutanamide
CID 62899928
N-(4-fluorophenyl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylbutanamide
CID 24558318
N-(4-aminophenyl)-2-(2,4-difluorophenyl)sulfanylpropanamide
CID 43345467
4-[[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]amino]benzamide
CID 9046418
(2S)-N-(4-fluorophenyl)-2-methylbutanamide
CID 838022
N-(4-fluorophenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanamide
CID 24557244
(2S)-2-(2,4-difluorophenyl)sulfanyl-N-(3-fluorophenyl)propanamide
CID 8975115
N-[4-[(2R)-2-(2,4-difluorophenyl)sulfanylpropanoyl]phenyl]acetamide
CID 8837256
N-[3-[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]-3-methylbenzamide
CID 18906879
N-[4-[2-(2,4-difluorophenyl)sulfanylacetyl]phenyl]-2-methylpropanamide
CID 8837263
N-[3-[1-(4-fluoroanilino)-1-oxobutan-2-yl]sulfanylphenyl]cyclohexanecarboxamide
CID 18907743

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide (CID 18122585) is 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide is CCC(Sc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide?
The InChIKey is OFKNKLVIBHMUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c1-2-14(22-15-8-5-11(18)9-13(15)19)16(21)20-12-6-3-10(17)4-7-12/h3-9,14H,2H2,1H3,(H,20,21).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide?
2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide has a molecular weight of 325.36 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N-(4-fluorophenyl)butanamide is sourced from PubChem (CID 18122585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).