(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21N3O3S — CID 92727068

IUPAC(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c1
InChIInChI=1S/C20H21N3O3S/c1-13(24)21-15-5-3-7-17(10-15)23-12-14(9-19(23)25)20(26)22-16-6-4-8-18(11-16)27-2/h3-8,10-11,14H,9,12H2,1-2H3,(H,21,24)(H,22,26)/t14-/m1/s1
InChIKeyLZBOPCSSBPISEO-CQSZACIVSA-N
MW383.47 g/mol
LogP3.36
Rot. Bonds5

About (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 92727068) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID92727068
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c1
InChIInChI=1S/C20H21N3O3S/c1-13(24)21-15-5-3-7-17(10-15)23-12-14(9-19(23)25)20(26)22-16-6-4-8-18(11-16)27-2/h3-8,10-11,14H,9,12H2,1-2H3,(H,21,24)(H,22,26)/t14-/m1/s1
InChIKeyLZBOPCSSBPISEO-CQSZACIVSA-N
XLogP3.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 154833883
(3S)-1-(3-acetamidophenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727083
(3R)-1-(3-acetamidophenyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 92719769
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
N-(3-acetamidophenyl)-1-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42946699
(3S)-N-(3-acetamidophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438889
(3S)-N-(4-acetamidophenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1090585

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 92727068) is (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is CSc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(NC(C)=O)c3)C2)c1.
What is the InChIKey of (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is LZBOPCSSBPISEO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-13(24)21-15-5-3-7-17(10-15)23-12-14(9-19(23)25)20(26)22-16-6-4-8-18(11-16)27-2/h3-8,10-11,14H,9,12H2,1-2H3,(H,21,24)(H,22,26)/t14-/m1/s1.
What are the key properties of (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 383.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 92727068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).