1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

C19H20N2O2S — CID 6491186

IUPAC1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)N(c2cccc(C)c2)C1
InChIInChI=1S/C19H20N2O2S/c1-13-6-5-7-15(10-13)21-12-14(11-18(21)22)19(23)20-16-8-3-4-9-17(16)24-2/h3-10,14H,11-12H2,1-2H3,(H,20,23)
InChIKeyIJUZKVDQGFPZAG-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.71
Rot. Bonds4

About 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide

1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 6491186) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID6491186
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCSc1ccccc1NC(=O)C1CC(=O)N(c2cccc(C)c2)C1
InChIInChI=1S/C19H20N2O2S/c1-13-6-5-7-15(10-13)21-12-14(11-18(21)22)19(23)20-16-8-3-4-9-17(16)24-2/h3-10,14H,11-12H2,1-2H3,(H,20,23)
InChIKeyIJUZKVDQGFPZAG-UHFFFAOYSA-N
XLogP3.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylsulfanylphenyl)-5-oxo-1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46806850
(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598
(3R)-N-methyl-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892198
(3R)-N-(4-methyl-2-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7379264
(3R)-5-oxo-1-phenyl-N-(2-phenylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 9350723
(3R)-N-(2-methyl-5-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 28892321
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
1-(3-methylphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 17120633
4-[[(3S)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 9005077
1-(3-methylphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 113186011
N-(2-bromo-4-nitrophenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3379395

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 6491186) is 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is CSc1ccccc1NC(=O)C1CC(=O)N(c2cccc(C)c2)C1.
What is the InChIKey of 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IJUZKVDQGFPZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-13-6-5-7-15(10-13)21-12-14(11-18(21)22)19(23)20-16-8-3-4-9-17(16)24-2/h3-10,14H,11-12H2,1-2H3,(H,20,23).
What are the key properties of 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 340.45 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 6491186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).