4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

C21H26N2O3S — CID 1122678

IUPAC4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-6-10-19(11-7-17)23(16-21(24)22-14-4-3-5-15-22)27(25,26)20-12-8-18(2)9-13-20/h6-13H,3-5,14-16H2,1-2H3
InChIKeyOJTOGFYHSLSPFN-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.51
Rot. Bonds5

About 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide

4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 1122678) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID1122678
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H26N2O3S/c1-17-6-10-19(11-7-17)23(16-21(24)22-14-4-3-5-15-22)27(25,26)20-12-8-18(2)9-13-20/h6-13H,3-5,14-16H2,1-2H3
InChIKeyOJTOGFYHSLSPFN-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide (CID 1122678) is 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is Cc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is OJTOGFYHSLSPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-17-6-10-19(11-7-17)23(16-21(24)22-14-4-3-5-15-22)27(25,26)20-12-8-18(2)9-13-20/h6-13H,3-5,14-16H2,1-2H3.
What are the key properties of 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide?
4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 1122678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).