(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one

C20H20N2O2S — CID 26290450

IUPAC(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCSc1cccc(N2C[C@H](C(=O)N3CCc4ccccc43)CC2=O)c1
InChIInChI=1S/C20H20N2O2S/c1-25-17-7-4-6-16(12-17)22-13-15(11-19(22)23)20(24)21-10-9-14-5-2-3-8-18(14)21/h2-8,12,15H,9-11,13H2,1H3/t15-/m1/s1
InChIKeyXCGUCBXFHDMFPE-OAHLLOKOSA-N
MW352.46 g/mol
LogP3.35
Rot. Bonds3

About (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one

(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one (PubChem CID 26290450) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
PubChem CID26290450
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
SMILESCSc1cccc(N2C[C@H](C(=O)N3CCc4ccccc43)CC2=O)c1
InChIInChI=1S/C20H20N2O2S/c1-25-17-7-4-6-16(12-17)22-13-15(11-19(22)23)20(24)21-10-9-14-5-2-3-8-18(14)21/h2-8,12,15H,9-11,13H2,1H3/t15-/m1/s1
InChIKeyXCGUCBXFHDMFPE-OAHLLOKOSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892223
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] (3R)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892220
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 92746622
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 9395508
(4S)-4-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-(3,4-dimethoxyphenyl)pyrrolidin-2-one
CID 35503338
1-phenyl-4-(5-pyrrolidin-1-yl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110634451
(4R)-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 34365838
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 9400843
(4S)-4-(2,3-dihydroindole-1-carbonyl)-1-(2-ethoxyphenyl)pyrrolidin-2-one
CID 2516185
4-[3-(methylamino)piperidine-1-carbonyl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 119490119
1-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 20932317

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one (CID 26290450) is (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one is CSc1cccc(N2C[C@H](C(=O)N3CCc4ccccc43)CC2=O)c1.
What is the InChIKey of (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one?
The InChIKey is XCGUCBXFHDMFPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-25-17-7-4-6-16(12-17)22-13-15(11-19(22)23)20(24)21-10-9-14-5-2-3-8-18(14)21/h2-8,12,15H,9-11,13H2,1H3/t15-/m1/s1.
What are the key properties of (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one?
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one has a molecular weight of 352.46 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 26290450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).