3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide

C16H20N2O4S — CID 97006967

IUPAC3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NC[C@H](C)[S@](C)=O)C2=O
InChIInChI=1S/C16H20N2O4S/c1-10-4-5-12-13(8-10)16(21)18(15(12)20)7-6-14(19)17-9-11(2)23(3)22/h4-5,8,11H,6-7,9H2,1-3H3,(H,17,19)/t11-,23-/m0/s1
InChIKeyGTJVPSLDQWOJHA-RULNZOCKSA-N
MW336.41 g/mol
LogP0.86
Rot. Bonds6

About 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide

3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide (PubChem CID 97006967) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide.

Molecular Properties

Compound Name3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide
PubChem CID97006967
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NC[C@H](C)[S@](C)=O)C2=O
InChIInChI=1S/C16H20N2O4S/c1-10-4-5-12-13(8-10)16(21)18(15(12)20)7-6-14(19)17-9-11(2)23(3)22/h4-5,8,11H,6-7,9H2,1-3H3,(H,17,19)/t11-,23-/m0/s1
InChIKeyGTJVPSLDQWOJHA-RULNZOCKSA-N
XLogP0.86
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]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-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27230477
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78866341
N-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 97199289
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
N-(2,2-diphenylethyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27770580
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2-propan-2-yloxyphenyl)methyl]propanamide
CID 55907455
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55797930
methyl 3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 46816833
N-(3-ethoxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27680688
N-[(2-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801
N-(2,6-dimethylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30433880

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide?
The IUPAC name of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide (CID 97006967) is 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide.
What is the SMILES notation for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide?
The canonical SMILES for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)NC[C@H](C)[S@](C)=O)C2=O.
What is the InChIKey of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide?
The InChIKey is GTJVPSLDQWOJHA-RULNZOCKSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-10-4-5-12-13(8-10)16(21)18(15(12)20)7-6-14(19)17-9-11(2)23(3)22/h4-5,8,11H,6-7,9H2,1-3H3,(H,17,19)/t11-,23-/m0/s1.
What are the key properties of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide?
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide has a molecular weight of 336.41 g/mol, XLogP of 0.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(2S)-2-[(S)-methylsulfinyl]propyl]propanamide is sourced from PubChem (CID 97006967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).