5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one

C18H20N2O3S — CID 75503249

IUPAC5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one
SMILESCC1CC(Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-13-12-17(18(21)20(13)15-6-4-3-5-7-15)19-14-8-10-16(11-9-14)24(2,22)23/h3-11,13,17,19H,12H2,1-2H3
InChIKeyHSFISRHSWMYPGA-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.70
Rot. Bonds4

About 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one

5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one (PubChem CID 75503249) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one
PubChem CID75503249
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one
SMILESCC1CC(Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccccc1
InChIInChI=1S/C18H20N2O3S/c1-13-12-17(18(21)20(13)15-6-4-3-5-7-15)19-14-8-10-16(11-9-14)24(2,22)23/h3-11,13,17,19H,12H2,1-2H3
InChIKeyHSFISRHSWMYPGA-UHFFFAOYSA-N
XLogP2.70
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one?
The IUPAC name of 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one (CID 75503249) is 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one is CC1CC(Nc2ccc(S(C)(=O)=O)cc2)C(=O)N1c1ccccc1.
What is the InChIKey of 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one?
The InChIKey is HSFISRHSWMYPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-12-17(18(21)20(13)15-6-4-3-5-7-15)19-14-8-10-16(11-9-14)24(2,22)23/h3-11,13,17,19H,12H2,1-2H3.
What are the key properties of 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one?
5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylsulfonylanilino)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 75503249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).