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

C17H16BrNO2S — CID 24527802

IUPACN-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2ccccc2Br)cc1
InChIInChI=1S/C17H16BrNO2S/c1-11(20)13-7-9-14(10-8-13)19-17(21)12(2)22-16-6-4-3-5-15(16)18/h3-10,12H,1-2H3,(H,19,21)
InChIKeySUDAPTKRFXNXOM-UHFFFAOYSA-N
MW378.29 g/mol
LogP4.77
Rot. Bonds5

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

N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide (PubChem CID 24527802) has the molecular formula C17H16BrNO2S and a molecular weight of 378.29 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
PubChem CID24527802
Molecular FormulaC17H16BrNO2S
Molecular Weight378.29 g/mol
Exact Mass377.01
IUPAC NameN-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)Sc2ccccc2Br)cc1
InChIInChI=1S/C17H16BrNO2S/c1-11(20)13-7-9-14(10-8-13)19-17(21)12(2)22-16-6-4-3-5-15(16)18/h3-10,12H,1-2H3,(H,19,21)
InChIKeySUDAPTKRFXNXOM-UHFFFAOYSA-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

(2R)-N-(4-acetylphenyl)-2-phenylsulfanylpropanamide
CID 2501504
(2R)-N-(4-acetylphenyl)-2-(4-bromophenyl)sulfanylpropanamide
CID 2561528
(2R)-N-(4-acetylphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7847771
(2S)-2-(2-acetylphenyl)sulfanyl-N-(4-ethylphenyl)propanamide
CID 100753368
N-[4-[1-(4-acetylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22780471
2-(2-bromophenyl)sulfanyl-1-(4-fluorophenyl)propan-1-one
CID 43232305
(2R)-N-(4-acetylphenyl)-2-amino-2-phenylacetamide
CID 61259858
N-(4-aminophenyl)-2-(2-methylphenyl)sulfanylpropanamide
CID 60892180
(2S)-N-(4-acetylphenyl)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 2458536
N-(4-acetylphenyl)-2-[1-(4-bromophenyl)imidazol-2-yl]sulfanylpropanamide
CID 46812896
(2S)-N-(4-acetylphenyl)-2-cyclopentylsulfanylpropanamide
CID 7825638
N-(4-acetylphenyl)-2-[(1Z)-buta-1,3-dienyl]sulfanylpropanamide
CID 143404677

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide (CID 24527802) is N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide is CC(=O)c1ccc(NC(=O)C(C)Sc2ccccc2Br)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide?
The InChIKey is SUDAPTKRFXNXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO2S/c1-11(20)13-7-9-14(10-8-13)19-17(21)12(2)22-16-6-4-3-5-15(16)18/h3-10,12H,1-2H3,(H,19,21).
What are the key properties of N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide?
N-(4-acetylphenyl)-2-(2-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 N-(4-acetylphenyl)-2-(2-bromophenyl)sulfanylpropanamide is sourced from PubChem (CID 24527802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).