2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide

C21H24N2O2S — CID 46902735

IUPAC2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCSC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-26-15-17-14-23(13-16-8-4-2-5-9-16)21(25)19(17)12-20(24)22-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3,(H,22,24)/t17-,19-/m1/s1
InChIKeyZHVBSQRXPWXELK-IEBWSBKVSA-N
MW368.50 g/mol
LogP3.65
Rot. Bonds7

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

2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide (PubChem CID 46902735) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
PubChem CID46902735
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide
SMILESCSC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C21H24N2O2S/c1-26-15-17-14-23(13-16-8-4-2-5-9-16)21(25)19(17)12-20(24)22-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3,(H,22,24)/t17-,19-/m1/s1
InChIKeyZHVBSQRXPWXELK-IEBWSBKVSA-N
XLogP3.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.65
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
N-(4-chlorophenyl)-2-{[1-(2,2-diphenylethyl)-2,5-dioxo-3-pyrrolidinyl]sulfanyl}acetamide
CID 4687157
Tetrahydrothiophene fentanyl
CID 137700508
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
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
N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
CID 648286
4-indolinyl-4-oxo-N-phenylbutanamide
CID 658541
(4aS,8R,8aS)-2-benzyl-1-oxo-N-phenyl-3,4,4a,7,8,8a-hexahydroisoquinoline-8-carboxamide
CID 24747596

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide (CID 46902735) is 2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide is CSC[C@H]1CN(Cc2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
The InChIKey is ZHVBSQRXPWXELK-IEBWSBKVSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-26-15-17-14-23(13-16-8-4-2-5-9-16)21(25)19(17)12-20(24)22-18-10-6-3-7-11-18/h2-11,17,19H,12-15H2,1H3,(H,22,24)/t17-,19-/m1/s1.
What are the key properties of 2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide?
2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide has a molecular weight of 368.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-1-benzyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 46902735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).