(2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide

C12H16BrNO2S — CID 97237997

IUPAC(2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide
SMILESCC[S@@](=O)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C12H16BrNO2S/c1-4-17(16)9(3)12(15)14-10-5-6-11(13)8(2)7-10/h5-7,9H,4H2,1-3H3,(H,14,15)/t9-,17+/m0/s1
InChIKeyJHYJZTSEWRGSDN-HUTHGQBESA-N
MW318.24 g/mol
LogP2.85
Rot. Bonds4

About (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide

(2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide (PubChem CID 97237997) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide
PubChem CID97237997
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name(2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide
SMILESCC[S@@](=O)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1
InChIInChI=1S/C12H16BrNO2S/c1-4-17(16)9(3)12(15)14-10-5-6-11(13)8(2)7-10/h5-7,9H,4H2,1-3H3,(H,14,15)/t9-,17+/m0/s1
InChIKeyJHYJZTSEWRGSDN-HUTHGQBESA-N
XLogP2.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-3-methylphenyl)-2-hydroxypropanamide
CID 82132450
2-bromo-N-(4-bromo-3-methylphenyl)propanamide
CID 12708491
N-(4-bromo-3-methylphenyl)-2-phenylbutanamide
CID 2905555
N-(4-bromo-3-methylphenyl)-3-(ethylamino)butanamide
CID 62838768
N-(4-bromo-3-methylphenyl)-N'-butan-2-yloxamide
CID 2926820
N-(4-bromo-3-methylphenyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309171
2-amino-N-(4-bromo-3-methylphenyl)-3,3-dimethylbutanamide
CID 76891825
N-(4-bromo-3-methylphenyl)-2-phenylpentanamide
CID 16552824
(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
CID 1257680
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
(2R)-N-(4-bromo-3-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 9172923
2-(aminomethyl)-N-(4-bromo-3-methylphenyl)-4,4-dimethylpentanamide
CID 107470961

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide?
The IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide (CID 97237997) is (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide.
What is the SMILES notation for (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide?
The canonical SMILES for (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide is CC[S@@](=O)[C@@H](C)C(=O)Nc1ccc(Br)c(C)c1.
What is the InChIKey of (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide?
The InChIKey is JHYJZTSEWRGSDN-HUTHGQBESA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-4-17(16)9(3)12(15)14-10-5-6-11(13)8(2)7-10/h5-7,9H,4H2,1-3H3,(H,14,15)/t9-,17+/m0/s1.
What are the key properties of (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide?
(2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide has a molecular weight of 318.24 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-3-methylphenyl)-2-[(R)-ethylsulfinyl]propanamide is sourced from PubChem (CID 97237997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).