(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

C19H21NO2S — CID 2616316

IUPAC(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2C)c1
InChIInChI=1S/C19H21NO2S/c1-12-8-9-18(13(2)10-12)23-15(4)19(22)20-17-7-5-6-16(11-17)14(3)21/h5-11,15H,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyZUJFXOBRYMUUFK-OAHLLOKOSA-N
MW327.45 g/mol
LogP4.63
Rot. Bonds5

About (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide

(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (PubChem CID 2616316) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
PubChem CID2616316
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2C)c1
InChIInChI=1S/C19H21NO2S/c1-12-8-9-18(13(2)10-12)23-15(4)19(22)20-17-7-5-6-16(11-17)14(3)21/h5-11,15H,1-4H3,(H,20,22)/t15-/m1/s1
InChIKeyZUJFXOBRYMUUFK-OAHLLOKOSA-N
XLogP4.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 2616315
(2S)-N-(4-acetamidophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458509
(2S)-N-(2,6-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734738
N-(4-aminophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 43187468
(2S)-N-(2,5-dimethylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 8734713
N-(4-cyanophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 17427781
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458639
(2S)-N-(1,3-benzodioxol-5-yl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 7458641
(2R)-N-(3-acetylphenyl)-2-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]sulfanylpropanamide
CID 92882030
(2S)-N-(3-acetylphenyl)-2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 7377917
(2R)-N-(3-acetylphenyl)-2-(4,8-dimethylquinolin-2-yl)sulfanylpropanamide
CID 7363698
(2S)-N-(3-acetylphenyl)-2-[(2,4-dimethylphenyl)methyl-methylamino]propanamide
CID 9045544

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide (CID 2616316) is (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccc(C)cc2C)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
The InChIKey is ZUJFXOBRYMUUFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-12-8-9-18(13(2)10-12)23-15(4)19(22)20-17-7-5-6-16(11-17)14(3)21/h5-11,15H,1-4H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide?
(2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide has a molecular weight of 327.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide is sourced from PubChem (CID 2616316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).