(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide

C15H13BrFNOS — CID 7553826

IUPAC(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNOS/c1-10(20-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(16)3-7-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyZSRVXEXIKRFERH-JTQLQIEISA-N
MW354.24 g/mol
LogP4.71
Rot. Bonds4

About (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide

(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 7553826) has the molecular formula C15H13BrFNOS and a molecular weight of 354.24 g/mol. Its IUPAC name is (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
PubChem CID7553826
Molecular FormulaC15H13BrFNOS
Molecular Weight354.24 g/mol
Exact Mass352.99
IUPAC Name(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C15H13BrFNOS/c1-10(20-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(16)3-7-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1
InChIKeyZSRVXEXIKRFERH-JTQLQIEISA-N
XLogP4.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394
(2R)-2-(4-fluorophenyl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2639557
2-(4-bromophenyl)sulfanyl-N-(2,5-difluorophenyl)propanamide
CID 46619918
(2R)-2-(4-fluorophenyl)sulfanyl-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7553964
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22780471
(2R)-N-(4-ethoxyphenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740652
(2S)-N-(4-bromophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanamide
CID 7730383
(2S)-N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 8740662

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide (CID 7553826) is (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide is C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is ZSRVXEXIKRFERH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13BrFNOS/c1-10(20-14-8-4-12(17)5-9-14)15(19)18-13-6-2-11(16)3-7-13/h2-10H,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide?
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 354.24 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7553826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).