3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

C19H20N2O2S — CID 12548205

IUPAC3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
SMILESCCCc1ccc(SC2CC(=O)N(c3ccccc3)C2=O)nc1C
InChIInChI=1S/C19H20N2O2S/c1-3-7-14-10-11-17(20-13(14)2)24-16-12-18(22)21(19(16)23)15-8-5-4-6-9-15/h4-6,8-11,16H,3,7,12H2,1-2H3
InChIKeyHSFVJFNZSWHVGJ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.77
Rot. Bonds5

About 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione

3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione (PubChem CID 12548205) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
PubChem CID12548205
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione
SMILESCCCc1ccc(SC2CC(=O)N(c3ccccc3)C2=O)nc1C
InChIInChI=1S/C19H20N2O2S/c1-3-7-14-10-11-17(20-13(14)2)24-16-12-18(22)21(19(16)23)15-8-5-4-6-9-15/h4-6,8-11,16H,3,7,12H2,1-2H3
InChIKeyHSFVJFNZSWHVGJ-UHFFFAOYSA-N
XLogP3.77
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 2059029
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 12689585
(3R)-3-(4-fluorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 774602
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylacetic acid
CID 711215
propyl 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylbenzoate
CID 163964411
3-(4-chlorophenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 138975835
2-[2,5-dioxo-1-(4-phenoxyphenyl)pyrrolidin-3-yl]sulfanyl-6-propylpyridine-3-carbonitrile
CID 23917057
(3S)-3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 875245
3-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]sulfanylpropanoate
CID 6925384
3-benzylsulfanyl-1-(4-methylphenyl)pyrrolidine-2,5-dione
CID 2888961
3-(3-amino-4-oxoquinazolin-2-yl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 43832746

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione (CID 12548205) is 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione is CCCc1ccc(SC2CC(=O)N(c3ccccc3)C2=O)nc1C.
What is the InChIKey of 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione?
The InChIKey is HSFVJFNZSWHVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-3-7-14-10-11-17(20-13(14)2)24-16-12-18(22)21(19(16)23)15-8-5-4-6-9-15/h4-6,8-11,16H,3,7,12H2,1-2H3.
What are the key properties of 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione?
3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione has a molecular weight of 340.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-5-propyl-2-pyridinyl)sulfanyl]-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 12548205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).