N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C22H24N4O3S — CID 154833883

IUPACN-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1cccc(N2CC(C(=O)Nc3cccc(N4C(=O)NCC4C)c3)CC2=O)c1
InChIInChI=1S/C22H24N4O3S/c1-14-12-23-22(29)26(14)18-7-3-5-16(10-18)24-21(28)15-9-20(27)25(13-15)17-6-4-8-19(11-17)30-2/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyYKOSTCFPNYDMEC-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.32
Rot. Bonds5

About N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 154833883) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID154833883
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1cccc(N2CC(C(=O)Nc3cccc(N4C(=O)NCC4C)c3)CC2=O)c1
InChIInChI=1S/C22H24N4O3S/c1-14-12-23-22(29)26(14)18-7-3-5-16(10-18)24-21(28)15-9-20(27)25(13-15)17-6-4-8-19(11-17)30-2/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H,23,29)(H,24,28)
InChIKeyYKOSTCFPNYDMEC-UHFFFAOYSA-N
XLogP3.32
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-acetamidophenyl)-N-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727068
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
(3S)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2433248
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3S)-N-(5-chloro-2-methylphenyl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502343
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 16549286
(3R)-N-(5-chloro-2-methylphenyl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8502342
(3S)-1-(3-acetamidophenyl)-N-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727107
(3R)-N-[(1R,2R)-2-methylcyclohexyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51672365
(3R)-N-[(1S,2R)-2-methylcyclohexyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51672364
N-[(4-fluorophenyl)methyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 17433547

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 154833883) is N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is CSc1cccc(N2CC(C(=O)Nc3cccc(N4C(=O)NCC4C)c3)CC2=O)c1.
What is the InChIKey of N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YKOSTCFPNYDMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-14-12-23-22(29)26(14)18-7-3-5-16(10-18)24-21(28)15-9-20(27)25(13-15)17-6-4-8-19(11-17)30-2/h3-8,10-11,14-15H,9,12-13H2,1-2H3,(H,23,29)(H,24,28).
What are the key properties of N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-2-oxoimidazolidin-1-yl)phenyl]-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 154833883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).