N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

Name: N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₇H₂₆N₂O₃S — CID 113154391

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPACN-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

SMILESCCc1cccc(CC)c1N(CC(=O)N1CCCC1)S(C)(=O)=O

InChIInChI=1S/C17H26N2O3S/c1-4-14-9-8-10-15(5-2)17(14)19(23(3,21)22)13-16(20)18-11-6-7-12-18/h8-10H,4-7,11-13H2,1-3H3

InChIKeyAQSHPJZERZWLLF-UHFFFAOYSA-N

MW338.47 g/mol

LogP2.20

Rot. Bonds6

About N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide

N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (PubChem CID 113154391) has the molecular formula C₁₇H₂₆N₂O₃S and a molecular weight of 338.47 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

Molecular Properties

Compound Name	N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
PubChem CID	113154391
Molecular Formula	C₁₇H₂₆N₂O₃S
Molecular Weight	338.47 g/mol
Exact Mass	338.17
IUPAC Name	N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide
SMILES	CCc1cccc(CC)c1N(CC(=O)N1CCCC1)S(C)(=O)=O
InChI	InChI=1S/C17H26N2O3S/c1-4-14-9-8-10-15(5-2)17(14)19(23(3,21)22)13-16(20)18-11-6-7-12-18/h8-10H,4-7,11-13H2,1-3H3
InChIKey	AQSHPJZERZWLLF-UHFFFAOYSA-N
XLogP	2.20
TPSA	57.69 Å²
H-Bond Donors
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.47
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?

The IUPAC name of N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide (CID 113154391) is N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide.

What is the SMILES notation for N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?

The canonical SMILES for N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is CCc1cccc(CC)c1N(CC(=O)N1CCCC1)S(C)(=O)=O.

What is the InChIKey of N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?

The InChIKey is AQSHPJZERZWLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-14-9-8-10-15(5-2)17(14)19(23(3,21)22)13-16(20)18-11-6-7-12-18/h8-10H,4-7,11-13H2,1-3H3.

What are the key properties of N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide?

N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide has a molecular weight of 338.47 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-diethylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)methanesulfonamide is sourced from PubChem (CID 113154391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 113154391 — identifiers, structure, computed properties (public domain)

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