1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H20N2O2S — CID 18079666

IUPAC1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H20N2O2S/c1-24-17-9-5-8-16(11-17)20-19(23)15-10-18(22)21(13-15)12-14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,20,23)
InChIKeyPINLYEZPUIAWQX-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.40
Rot. Bonds5

About 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 18079666) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID18079666
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1
InChIInChI=1S/C19H20N2O2S/c1-24-17-9-5-8-16(11-17)20-19(23)15-10-18(22)21(13-15)12-14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,20,23)
InChIKeyPINLYEZPUIAWQX-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 3109980
1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 4884161
1-benzyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3354062
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
N-benzyl-2-(3-methylsulfanylanilino)propanamide
CID 4882997
N-(4-fluorophenyl)-5-oxo-1-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 16312902
1-(2-Fluorophenyl)-N-(2-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 580214
1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2991467
N-[3-(acetylamino)phenyl]-1-(4-methylphenyl)-5-oxo-3-pyrrolidinecarboxamide
CID 2963151
1-(4-methylphenyl)-5-oxo-N-(4-phenylbutan-2-yl)pyrrolidine-3-carboxamide
CID 2963169
1-benzyl-N-(2-chloro-5-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2997690
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 3109982

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 18079666) is 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is CSc1cccc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is PINLYEZPUIAWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-24-17-9-5-8-16(11-17)20-19(23)15-10-18(22)21(13-15)12-14-6-3-2-4-7-14/h2-9,11,15H,10,12-13H2,1H3,(H,20,23).
What are the key properties of 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 18079666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).