(2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

C20H22N2O2S — CID 92688940

IUPAC(2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCSc1ccc(CCNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C20H22N2O2S/c1-14(22-13-16-5-3-4-6-18(16)20(22)24)19(23)21-12-11-15-7-9-17(25-2)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyBFXISSVKIDVYQB-CQSZACIVSA-N
MW354.48 g/mol
LogP3.11
Rot. Bonds6

About (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide

(2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 92688940) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID92688940
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name(2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCSc1ccc(CCNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)cc1
InChIInChI=1S/C20H22N2O2S/c1-14(22-13-16-5-3-4-6-18(16)20(22)24)19(23)21-12-11-15-7-9-17(25-2)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyBFXISSVKIDVYQB-CQSZACIVSA-N
XLogP3.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)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

(2R)-2-(3-oxo-1H-isoindol-2-yl)-2-phenyl-N-(2-phenylethyl)acetamide
CID 6622459
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905716
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 92721994
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 86207616
2-(4-hydroxy-3-oxobutan-2-yl)-3H-isoindol-1-one
CID 123571476
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]propanamide
CID 71829789
(2R)-N-[(3-methoxyphenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688907
N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 20906050
(2S)-2-(3-oxo-1H-isoindol-2-yl)-3-phenyl-N-(3-phenylpropyl)propanamide
CID 92688536
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065
(2R)-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 124864581
4-methyl-N-(3-methylsulfanylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 20905757

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide (CID 92688940) is (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is CSc1ccc(CCNC(=O)[C@@H](C)N2Cc3ccccc3C2=O)cc1.
What is the InChIKey of (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is BFXISSVKIDVYQB-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14(22-13-16-5-3-4-6-18(16)20(22)24)19(23)21-12-11-15-7-9-17(25-2)10-8-15/h3-10,14H,11-13H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide?
(2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 354.48 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methylsulfanylphenyl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 92688940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).