N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide

C17H24N2O2S — CID 46902745

IUPACN-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESCNC(=O)C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1CSC
InChIInChI=1S/C17H24N2O2S/c1-18-16(20)10-15-14(12-22-2)11-19(17(15)21)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyFZAJCHHUKQMCDR-HUUCEWRRSA-N
MW320.46 g/mol
LogP1.80
Rot. Bonds7

About N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide

N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (PubChem CID 46902745) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
PubChem CID46902745
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide
SMILESCNC(=O)C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1CSC
InChIInChI=1S/C17H24N2O2S/c1-18-16(20)10-15-14(12-22-2)11-19(17(15)21)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,20)/t14-,15-/m1/s1
InChIKeyFZAJCHHUKQMCDR-HUUCEWRRSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide (CID 46902745) is N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is CNC(=O)C[C@H]1C(=O)N(CCc2ccccc2)C[C@@H]1CSC.
What is the InChIKey of N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
The InChIKey is FZAJCHHUKQMCDR-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-18-16(20)10-15-14(12-22-2)11-19(17(15)21)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,20)/t14-,15-/m1/s1.
What are the key properties of N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide?
N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide has a molecular weight of 320.46 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3R,4R)-4-(methylsulfanylmethyl)-2-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 46902745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).