2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide

C15H12BrF2NOS — CID 46619918

IUPAC2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide
SMILESCC(Sc1ccc(Br)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H12BrF2NOS/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-14-8-11(17)4-7-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyCWNUBKBKOBPHSM-UHFFFAOYSA-N
MW372.23 g/mol
LogP4.85
Rot. Bonds4

About 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide

2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide (PubChem CID 46619918) has the molecular formula C15H12BrF2NOS and a molecular weight of 372.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide.

Molecular Properties

Compound Name2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide
PubChem CID46619918
Molecular FormulaC15H12BrF2NOS
Molecular Weight372.23 g/mol
Exact Mass370.98
IUPAC Name2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide
SMILESCC(Sc1ccc(Br)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C15H12BrF2NOS/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-14-8-11(17)4-7-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeyCWNUBKBKOBPHSM-UHFFFAOYSA-N
XLogP4.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,5-difluorophenyl)-2-(4-hydroxyphenyl)sulfanylpropanamide
CID 94157785
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 887088
N-(2-amino-4-fluorophenyl)-2-(4-chlorophenyl)sulfanylpropanamide
CID 43102247
N-(2,4-difluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2947131
N-(2,5-difluorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)propanamide
CID 51235805
2-(4-bromophenoxy)-N-(2,5-difluorophenyl)propanamide
CID 18084146
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 8870293
2-(4-acetamidophenyl)sulfanyl-N-(2,4-difluorophenyl)propanamide
CID 51235630
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
(2R)-N-(4-fluoro-2-methylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9142211
(2R)-N-(2,4-difluorophenyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 9063439

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide?
The IUPAC name of 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide (CID 46619918) is 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide.
What is the SMILES notation for 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide?
The canonical SMILES for 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide is CC(Sc1ccc(Br)cc1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide?
The InChIKey is CWNUBKBKOBPHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NOS/c1-9(21-12-5-2-10(16)3-6-12)15(20)19-14-8-11(17)4-7-13(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide?
2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide has a molecular weight of 372.23 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide is sourced from PubChem (CID 46619918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).