3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide

C16H14F3NOS — CID 9045097

IUPAC3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F3NOS/c1-10-2-3-11(17)8-15(10)20-16(21)6-7-22-12-4-5-13(18)14(19)9-12/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyQONKRPPAIJROEA-UHFFFAOYSA-N
MW325.36 g/mol
LogP4.53
Rot. Bonds5

About 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide

3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 9045097) has the molecular formula C16H14F3NOS and a molecular weight of 325.36 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID9045097
Molecular FormulaC16H14F3NOS
Molecular Weight325.36 g/mol
Exact Mass325.07
IUPAC Name3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCSc1ccc(F)c(F)c1
InChIInChI=1S/C16H14F3NOS/c1-10-2-3-11(17)8-15(10)20-16(21)6-7-22-12-4-5-13(18)14(19)9-12/h2-5,8-9H,6-7H2,1H3,(H,20,21)
InChIKeyQONKRPPAIJROEA-UHFFFAOYSA-N
XLogP4.53
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 ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)propanamide
CID 9257647
N-tert-butyl-3-(3,4-difluorophenyl)sulfanylpropanamide
CID 60666996
4-(4-chlorophenyl)sulfanyl-N-(2,5-difluorophenyl)butanamide
CID 134059340
N-(5-amino-2-methylphenyl)-3-(3,4-dimethylphenyl)sulfanylpropanamide;hydrochloride
CID 120568294
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
N-(4-amino-2-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 29034745
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
4-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)butanamide
CID 2088465
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(4-fluorophenyl)sulfanylpropanamide
CID 4781884
3-(3,4-dimethylphenyl)sulfanyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 78790855
N-(5-fluoro-2-methylphenyl)-2-phenylsulfanylacetamide
CID 2501507
3-(3,4-difluorophenyl)sulfanyl-N-[(E)-pent-3-enyl]propanamide
CID 115627698

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide (CID 9045097) is 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide is Cc1ccc(F)cc1NC(=O)CCSc1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is QONKRPPAIJROEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NOS/c1-10-2-3-11(17)8-15(10)20-16(21)6-7-22-12-4-5-13(18)14(19)9-12/h2-5,8-9H,6-7H2,1H3,(H,20,21).
What are the key properties of 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide?
3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 325.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)sulfanyl-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 9045097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).