N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C21H25N3O3S — CID 55981038

IUPACN-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)C1CC(=O)N(c2ccc(SC)cc2)C1
InChIInChI=1S/C21H25N3O3S/c1-27-12-11-23(15-17-5-3-4-10-22-17)21(26)16-13-20(25)24(14-16)18-6-8-19(28-2)9-7-18/h3-10,16H,11-15H2,1-2H3
InChIKeyNJPDESQKWIOBQI-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.83
Rot. Bonds8

About N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 55981038) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID55981038
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
SMILESCOCCN(Cc1ccccn1)C(=O)C1CC(=O)N(c2ccc(SC)cc2)C1
InChIInChI=1S/C21H25N3O3S/c1-27-12-11-23(15-17-5-3-4-10-22-17)21(26)16-13-20(25)24(14-16)18-6-8-19(28-2)9-7-18/h3-10,16H,11-15H2,1-2H3
InChIKeyNJPDESQKWIOBQI-UHFFFAOYSA-N
XLogP2.83
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-fluorophenyl)-5-oxo-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 52992577
methyl 3-[benzyl-[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55547764
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 60952650
1-(4-methylsulfanylphenyl)-4-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 43072731
(2R)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-2-ylmethyl)azepane-2-carboxamide
CID 97205508
(7S)-N-(2-methoxyethyl)-3-phenyl-N-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-7-carboxamide
CID 97339584
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-1-(4-fluorophenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 43986368
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55980123
3-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-(2-methoxyethyl)-1-(pyridin-2-ylmethyl)urea
CID 126435001
N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)propanamide
CID 61242673
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 55981041
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43049701

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 55981038) is N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is COCCN(Cc1ccccn1)C(=O)C1CC(=O)N(c2ccc(SC)cc2)C1.
What is the InChIKey of N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is NJPDESQKWIOBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-27-12-11-23(15-17-5-3-4-10-22-17)21(26)16-13-20(25)24(14-16)18-6-8-19(28-2)9-7-18/h3-10,16H,11-15H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?
N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(4-methylsulfanylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 55981038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).