(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide

C17H16BrNO2S — CID 2561528

IUPAC(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrNO2S/c1-11(20)13-3-7-15(8-4-13)19-17(21)12(2)22-16-9-5-14(18)6-10-16/h3-10,12H,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyBPHHFHVUARUILU-GFCCVEGCSA-N
MW378.29 g/mol
LogP4.77
Rot. Bonds5

About (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide

(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide (PubChem CID 2561528) has the molecular formula C17H16BrNO2S and a molecular weight of 378.29 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
PubChem CID2561528
Molecular FormulaC17H16BrNO2S
Molecular Weight378.29 g/mol
Exact Mass377.01
IUPAC Name(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H16BrNO2S/c1-11(20)13-3-7-15(8-4-13)19-17(21)12(2)22-16-9-5-14(18)6-10-16/h3-10,12H,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyBPHHFHVUARUILU-GFCCVEGCSA-N
XLogP4.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-bromophenyl)sulfanylpropanoylamino]benzamide
CID 16554795
4-[[(2S)-2-(4-bromophenyl)sulfanylpropanoyl]amino]benzamide
CID 7785394
(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104
(2S)-N-(4-bromophenyl)-2-(4-fluorophenyl)sulfanylpropanamide
CID 7553826
(2S)-2-(4-bromophenyl)sulfanyl-N-(4-chlorophenyl)propanamide
CID 7785397
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22780471
N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
CID 24527802
4-[[(2S)-2-(4-acetamidophenyl)sulfanylpropanoyl]amino]benzamide
CID 7999917
N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide
CID 46812896
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
2-(4-bromophenyl)sulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17423023

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide (CID 2561528) is (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide is CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(Br)cc2)cc1.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide?
The InChIKey is BPHHFHVUARUILU-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H16BrNO2S/c1-11(20)13-3-7-15(8-4-13)19-17(21)12(2)22-16-9-5-14(18)6-10-16/h3-10,12H,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide?
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide has a molecular weight of 378.29 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide is sourced from PubChem (CID 2561528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).