2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide

C20H22N2O2S — CID 46902734

IUPAC2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide
SMILESCSC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-25-14-15-13-22(17-10-6-3-7-11-17)20(24)18(15)12-19(23)21-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,23)/t15-,18-/m1/s1
InChIKeyGOGRRMCILXKOIY-CRAIPNDOSA-N
MW354.48 g/mol
LogP3.66
Rot. Bonds6

About 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide

2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 46902734) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide
PubChem CID46902734
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide
SMILESCSC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-25-14-15-13-22(17-10-6-3-7-11-17)20(24)18(15)12-19(23)21-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,23)/t15-,18-/m1/s1
InChIKeyGOGRRMCILXKOIY-CRAIPNDOSA-N
XLogP3.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide 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

2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(2-methylphenyl)acetamide
CID 3109980
1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2883505
N-Tert-butyl-2-[N-(2-fluorophenyl)-1-(5-oxothiolan-3-YL)formamido]acetamide
CID 3227527
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
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(3-methylphenyl)butanamide
CID 6463056
4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-isoindol-2-yl)-N-(2-methylphenyl)butanamide
CID 6464187
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)-N-(4-methylphenyl)acetamide
CID 3109982
2-(2,4-Dioxo-3-propyl-thiazolidin-5-yl)-N-p-tolyl-acetamide
CID 3155762
N-{4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl}acetamide
CID 3236432
N-[2-(cyanomethylsulfanyl)phenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide
CID 4883851

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide (CID 46902734) is 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide is CSC[C@H]1CN(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is GOGRRMCILXKOIY-CRAIPNDOSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-25-14-15-13-22(17-10-6-3-7-11-17)20(24)18(15)12-19(23)21-16-8-4-2-5-9-16/h2-11,15,18H,12-14H2,1H3,(H,21,23)/t15-,18-/m1/s1.
What are the key properties of 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 354.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-phenylpyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 46902734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).