(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

C19H20N2O2S — CID 34319195

IUPAC(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCSc1cccc(N2C[C@H](C(=O)N(C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C19H20N2O2S/c1-20(15-7-4-3-5-8-15)19(23)14-11-18(22)21(13-14)16-9-6-10-17(12-16)24-2/h3-10,12,14H,11,13H2,1-2H3/t14-/m1/s1
InChIKeyKZZJHWQYJOKTSI-CQSZACIVSA-N
MW340.45 g/mol
LogP3.42
Rot. Bonds4

About (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide

(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (PubChem CID 34319195) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
PubChem CID34319195
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
SMILESCSc1cccc(N2C[C@H](C(=O)N(C)c3ccccc3)CC2=O)c1
InChIInChI=1S/C19H20N2O2S/c1-20(15-7-4-3-5-8-15)19(23)14-11-18(22)21(13-14)16-9-6-10-17(12-16)24-2/h3-10,12,14H,11,13H2,1-2H3/t14-/m1/s1
InChIKeyKZZJHWQYJOKTSI-CQSZACIVSA-N
XLogP3.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-5-oxo-N,1-diphenylpyrrolidine-3-carboxamide
CID 40720221
N-methyl-1-(3-methylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17120559
methyl 3-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189313
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248
1-(3-chloro-4-fluorophenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 17225348
1-(4-tert-butylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113187256
(3R)-1-(4-ethylphenyl)-N-methyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 9388957
N-[(1-benzylpyrazol-4-yl)methyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 45351423
phenacyl (3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7892342
(3S)-N,N-dimethyl-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 9350614
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 26290450
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18112343

Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide (CID 34319195) is (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is CSc1cccc(N2C[C@H](C(=O)N(C)c3ccccc3)CC2=O)c1.
What is the InChIKey of (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
The InChIKey is KZZJHWQYJOKTSI-CQSZACIVSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-20(15-7-4-3-5-8-15)19(23)14-11-18(22)21(13-14)16-9-6-10-17(12-16)24-2/h3-10,12,14H,11,13H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide?
(3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-1-(3-methylsulfanylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 34319195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).