2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C16H24N2O3S — CID 852267

IUPAC2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCCC2)c1C
InChIInChI=1S/C16H24N2O3S/c1-11-9-12(2)14(4)16(13(11)3)22(20,21)17-10-15(19)18-7-5-6-8-18/h9,17H,5-8,10H2,1-4H3
InChIKeyRNYKURMDKLCDEV-UHFFFAOYSA-N
MW324.45 g/mol
LogP1.82
Rot. Bonds4

About 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 852267) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID852267
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCCC2)c1C
InChIInChI=1S/C16H24N2O3S/c1-11-9-12(2)14(4)16(13(11)3)22(20,21)17-10-15(19)18-7-5-6-8-18/h9,17H,5-8,10H2,1-4H3
InChIKeyRNYKURMDKLCDEV-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 852268
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 6466704
Cyclobutyl-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 2635741
N-(1,1-dioxothiolan-3-yl)-2-[ethyl-(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 24686963
N,2,4,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 899199
4-tert-butyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 972467
Pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 4806787
4-(2,3,5,6-Tetramethylphenyl)sulfonylpiperazin-2-one
CID 4882689
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidine-4-carboxamide
CID 25163096
N-(2-Phenylethyl)-2-(2,3,5,6-tetramethylbenzenesulfonamido)acetamide
CID 2241492
N-(2-(2,6-dimethylmorpholino)-2-oxoethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 3622072

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 852267) is 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCC(=O)N2CCCC2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is RNYKURMDKLCDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-11-9-12(2)14(4)16(13(11)3)22(20,21)17-10-15(19)18-7-5-6-8-18/h9,17H,5-8,10H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 852267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).