(2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide

C18H16N2O3S — CID 9349577

IUPAC(2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C18H16N2O3S/c1-11(24-10-12-5-3-2-4-6-12)16(21)19-13-7-8-14-15(9-13)18(23)20-17(14)22/h2-9,11H,10H2,1H3,(H,19,21)(H,20,22,23)/t11-/m1/s1
InChIKeyDMJDQBUCNVVOEC-LLVKDONJSA-N
MW340.40 g/mol
LogP2.83
Rot. Bonds5

About (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide

(2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide (PubChem CID 9349577) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide
PubChem CID9349577
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Name(2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C18H16N2O3S/c1-11(24-10-12-5-3-2-4-6-12)16(21)19-13-7-8-14-15(9-13)18(23)20-17(14)22/h2-9,11H,10H2,1H3,(H,19,21)(H,20,22,23)/t11-/m1/s1
InChIKeyDMJDQBUCNVVOEC-LLVKDONJSA-N
XLogP2.83
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide
CID 17297257
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(2R)-N-(3-acetamidophenyl)-2-benzylsulfanylpropanamide
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(2S)-2-benzylsulfanyl-N-(4-bromo-3-methylphenyl)propanamide
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(2S)-2-benzylsulfanyl-N-(3-chlorophenyl)propanamide
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2-benzylsulfanyl-N-[4-(pyridin-4-ylmethyl)phenyl]propanamide
CID 133244520
(2S)-2-benzylsulfanyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 100500248
(2S)-2-benzylsulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 2647848
(2S)-2-benzylsulfanyl-N-(4-piperidin-1-ylphenyl)propanamide
CID 95288755
(2S)-2-benzylsulfanyl-N-(9-ethylcarbazol-3-yl)propanamide
CID 124582604
(2S)-2-benzylsulfanyl-N-(2-oxo-3-propan-2-yl-1,3-benzothiazol-6-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide?
The IUPAC name of (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide (CID 9349577) is (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide?
The canonical SMILES for (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide is C[C@@H](SCc1ccccc1)C(=O)Nc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide?
The InChIKey is DMJDQBUCNVVOEC-LLVKDONJSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-11(24-10-12-5-3-2-4-6-12)16(21)19-13-7-8-14-15(9-13)18(23)20-17(14)22/h2-9,11H,10H2,1H3,(H,19,21)(H,20,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide?
(2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide has a molecular weight of 340.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzylsulfanyl-N-(1,3-dioxoisoindol-5-yl)propanamide is sourced from PubChem (CID 9349577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).