N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

C24H24N2O4S2 — CID 55380770

IUPACN-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)C2c2cccs2)cc1
InChIInChI=1S/C24H24N2O4S2/c1-15-6-9-17(10-7-15)26-22(27)14-19(23(26)21-5-4-12-31-21)24(28)25-20-13-18(32(3,29)30)11-8-16(20)2/h4-13,19,23H,14H2,1-3H3,(H,25,28)
InChIKeyIFWDGTOBOXOVEZ-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.50
Rot. Bonds5

About N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide

N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (PubChem CID 55380770) has the molecular formula C24H24N2O4S2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
PubChem CID55380770
Molecular FormulaC24H24N2O4S2
Molecular Weight468.60 g/mol
Exact Mass468.12
IUPAC NameN-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide
SMILESCc1ccc(N2C(=O)CC(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)C2c2cccs2)cc1
InChIInChI=1S/C24H24N2O4S2/c1-15-6-9-17(10-7-15)26-22(27)14-19(23(26)21-5-4-12-31-21)24(28)25-20-13-18(32(3,29)30)11-8-16(20)2/h4-13,19,23H,14H2,1-3H3,(H,25,28)
InChIKeyIFWDGTOBOXOVEZ-UHFFFAOYSA-N
XLogP4.50
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide (CID 55380770) is N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is Cc1ccc(N2C(=O)CC(C(=O)Nc3cc(S(C)(=O)=O)ccc3C)C2c2cccs2)cc1.
What is the InChIKey of N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
The InChIKey is IFWDGTOBOXOVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4S2/c1-15-6-9-17(10-7-15)26-22(27)14-19(23(26)21-5-4-12-31-21)24(28)25-20-13-18(32(3,29)30)11-8-16(20)2/h4-13,19,23H,14H2,1-3H3,(H,25,28).
What are the key properties of N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide?
N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-5-methylsulfonylphenyl)-1-(4-methylphenyl)-5-oxo-2-thiophen-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55380770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).