N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H20N2O2S2 — CID 55544056

IUPACN,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccc(NC(=O)C2CC(=O)N(c3ccc(SC)cc3)C2)cc1
InChIInChI=1S/C19H20N2O2S2/c1-24-16-7-3-14(4-8-16)20-19(23)13-11-18(22)21(12-13)15-5-9-17(25-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,20,23)
InChIKeyRXUBKMZGRODUOD-UHFFFAOYSA-N
MW372.52 g/mol
LogP4.12
Rot. Bonds5

About N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55544056) has the molecular formula C19H20N2O2S2 and a molecular weight of 372.52 g/mol. Its IUPAC name is N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55544056
Molecular FormulaC19H20N2O2S2
Molecular Weight372.52 g/mol
Exact Mass372.10
IUPAC NameN,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccc(NC(=O)C2CC(=O)N(c3ccc(SC)cc3)C2)cc1
InChIInChI=1S/C19H20N2O2S2/c1-24-16-7-3-14(4-8-16)20-19(23)13-11-18(22)21(12-13)15-5-9-17(25-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,20,23)
InChIKeyRXUBKMZGRODUOD-UHFFFAOYSA-N
XLogP4.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55544347
N-(2,6-dimethylphenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46634969
methyl 2-chloro-5-[[1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 42947591
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
(3S)-1-(4-bromophenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1109935
N-(2-hydroxyethyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78845505
N-(2,5-dichlorophenyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43049525
N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 60573648
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
N'-(2-methylpropanoyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 43072311
1-(2,5-dimethoxyphenyl)-N-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46587267

Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 55544056) is N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is CSc1ccc(NC(=O)C2CC(=O)N(c3ccc(SC)cc3)C2)cc1.
What is the InChIKey of N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RXUBKMZGRODUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S2/c1-24-16-7-3-14(4-8-16)20-19(23)13-11-18(22)21(12-13)15-5-9-17(25-2)10-6-15/h3-10,13H,11-12H2,1-2H3,(H,20,23).
What are the key properties of N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 372.52 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55544056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).