2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide

C19H20N2O2S — CID 16918317

IUPAC2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H20N2O2S/c1-24-17-10-6-5-9-16(17)19(23)20-12-14-11-18(22)21(13-14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,23)
InChIKeyKODSGXSGIOZYMQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.19
Rot. Bonds5

About 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide

2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide (PubChem CID 16918317) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
PubChem CID16918317
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
SMILESCSc1ccccc1C(=O)NCC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C19H20N2O2S/c1-24-17-10-6-5-9-16(17)19(23)20-12-14-11-18(22)21(13-14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,23)
InChIKeyKODSGXSGIOZYMQ-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(5-oxo-1-phenylpyrrolidin-3-yl)methylcarbamoyl]benzoate
CID 16918311
N-[[1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-ethylsulfanylbenzamide
CID 16918926
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2-propylpentanamide
CID 16918191
4-methyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 16918211
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-fluorobenzamide
CID 40896342
N-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methoxybenzamide
CID 40895555
N-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-iodobenzamide
CID 16918695
N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]-2,2-diphenylacetamide
CID 16918291
3-methyl-N-[[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 40876165
2-methoxy-N-[[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]benzamide
CID 40876673
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-2-ethylsulfanylbenzamide
CID 16919382
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2-phenylacetamide
CID 40895899

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide (CID 16918317) is 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide is CSc1ccccc1C(=O)NCC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
The InChIKey is KODSGXSGIOZYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-24-17-10-6-5-9-16(17)19(23)20-12-14-11-18(22)21(13-14)15-7-3-2-4-8-15/h2-10,14H,11-13H2,1H3,(H,20,23).
What are the key properties of 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide?
2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide has a molecular weight of 340.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 16918317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).