1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

C24H29N3O4S — CID 4884161

IUPAC1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H29N3O4S/c1-18-10-11-21(32(30,31)27-12-6-3-7-13-27)15-22(18)25-24(29)20-14-23(28)26(17-20)16-19-8-4-2-5-9-19/h2,4-5,8-11,15,20H,3,6-7,12-14,16-17H2,1H3,(H,25,29)
InChIKeyXRSWUUNDRHPQNZ-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.16
Rot. Bonds6

About 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide

1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 4884161) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID4884161
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C24H29N3O4S/c1-18-10-11-21(32(30,31)27-12-6-3-7-13-27)15-22(18)25-24(29)20-14-23(28)26(17-20)16-19-8-4-2-5-9-19/h2,4-5,8-11,15,20H,3,6-7,12-14,16-17H2,1H3,(H,25,29)
InChIKeyXRSWUUNDRHPQNZ-UHFFFAOYSA-N
XLogP3.16
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 4884161) is 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is XRSWUUNDRHPQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-18-10-11-21(32(30,31)27-12-6-3-7-13-27)15-22(18)25-24(29)20-14-23(28)26(17-20)16-19-8-4-2-5-9-19/h2,4-5,8-11,15,20H,3,6-7,12-14,16-17H2,1H3,(H,25,29).
What are the key properties of 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide?
1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 455.58 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-methyl-5-piperidin-1-ylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 4884161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).