N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H22N2O2S — CID 46634969

IUPACN-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)Nc3c(C)cccc3C)CC2=O)cc1
InChIInChI=1S/C20H22N2O2S/c1-13-5-4-6-14(2)19(13)21-20(24)15-11-18(23)22(12-15)16-7-9-17(25-3)10-8-16/h4-10,15H,11-12H2,1-3H3,(H,21,24)
InChIKeyBVPHZJVBTKANRL-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.02
Rot. Bonds4

About N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 46634969) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID46634969
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC NameN-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccc(N2CC(C(=O)Nc3c(C)cccc3C)CC2=O)cc1
InChIInChI=1S/C20H22N2O2S/c1-13-5-4-6-14(2)19(13)21-20(24)15-11-18(23)22(12-15)16-7-9-17(25-3)10-8-16/h4-10,15H,11-12H2,1-3H3,(H,21,24)
InChIKeyBVPHZJVBTKANRL-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(2,6-dimethylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 680417
N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544056
(3R)-N-(2,6-dimethylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005185
N-(2-chloro-6-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 5024775
N-(2,6-dimethylphenyl)-5-oxo-1-(4-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113188418
N-(2-ethyl-6-methylphenyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2925283
(3R)-1-(4-methylphenyl)-N-(2-methyl-6-propan-2-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7393881
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
1-(2,3-dihydro-1H-inden-5-yl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46586076
(3S)-N-(2-ethyl-6-methylphenyl)-1-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7900199
N-(2-ethyl-6-methylphenyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108791078
(3R)-1-(4-bromophenyl)-N-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7392741

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 46634969) is N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is CSc1ccc(N2CC(C(=O)Nc3c(C)cccc3C)CC2=O)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BVPHZJVBTKANRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-13-5-4-6-14(2)19(13)21-20(24)15-11-18(23)22(12-15)16-7-9-17(25-3)10-8-16/h4-10,15H,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 354.48 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 46634969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).