2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

C17H26N2O3S — CID 6466704

IUPAC2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCCN2CCCC2=O)c1C
InChIInChI=1S/C17H26N2O3S/c1-12-11-13(2)15(4)17(14(12)3)23(21,22)18-8-6-10-19-9-5-7-16(19)20/h11,18H,5-10H2,1-4H3
InChIKeyBQRPNCLVWXLULB-UHFFFAOYSA-N
MW338.47 g/mol
LogP2.21
Rot. Bonds6

About 2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (PubChem CID 6466704) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
PubChem CID6466704
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCCCN2CCCC2=O)c1C
InChIInChI=1S/C17H26N2O3S/c1-12-11-13(2)15(4)17(14(12)3)23(21,22)18-8-6-10-19-9-5-7-16(19)20/h11,18H,5-10H2,1-4H3
InChIKeyBQRPNCLVWXLULB-UHFFFAOYSA-N
XLogP2.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,4,5-Trimethyl-benzenesulfonyl)-piperidine-4-carboxylic acid amide
CID 3152853
N-(cyclohexylmethyl)-2-[(2,3,5,6-tetramethylphenyl)sulfonylamino]acetamide
CID 4791129
(3,5-Dimethylpiperidin-1-yl)-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17461622
1-(3,4-dimethylphenyl)sulfonyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 24819910
2,3,5,6-tetramethyl-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 852267
4-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide
CID 3738166
Pyrrolidin-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 4806787
Azocan-1-yl-[1-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 24816848
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-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl)-2,3,5,6-tetramethylbenzenesulfonamide
CID 5073612
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-2,5-dimethylbenzenesulfonamide
CID 71789260

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide (CID 6466704) is 2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCCCN2CCCC2=O)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is BQRPNCLVWXLULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-12-11-13(2)15(4)17(14(12)3)23(21,22)18-8-6-10-19-9-5-7-16(19)20/h11,18H,5-10H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.21, 6 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-[3-(2-oxopyrrolidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 6466704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).