N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide

C16H24N2O4S — CID 110736987

IUPACN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-5-22-13-6-8-14(9-7-13)23(20,21)17-12-10-15(19)18(11-12)16(2,3)4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyYJPYVODDJJFPGW-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.76
Rot. Bonds5

About N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide

N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide (PubChem CID 110736987) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide
PubChem CID110736987
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC NameN-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NC2CC(=O)N(C(C)(C)C)C2)cc1
InChIInChI=1S/C16H24N2O4S/c1-5-22-13-6-8-14(9-7-13)23(20,21)17-12-10-15(19)18(11-12)16(2,3)4/h6-9,12,17H,5,10-11H2,1-4H3
InChIKeyYJPYVODDJJFPGW-UHFFFAOYSA-N
XLogP1.76
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-(1-ethylpiperidin-4-yl)benzenesulfonamide
CID 22772564
N-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)piperidin-4-yl]-4-ethoxybenzenesulfonamide
CID 154831306
N-[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 16829587
N-[(3R)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]thiophene-2-sulfonamide
CID 7255810
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-2-(4-fluorophenoxy)acetamide
CID 110736947
4-ethoxy-N-[1-(2-methylpropanoyl)piperidin-4-yl]benzenesulfonamide
CID 35402103
N-[(3R)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 7564849
N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 6494535
N-(3-azabicyclo[3.1.0]hexan-6-yl)-4-ethoxybenzenesulfonamide
CID 43597428
4-tert-butyl-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzenesulfonamide
CID 110719814
4-ethoxy-N-[3-(1,2,4-triazol-4-yl)cyclohexyl]benzenesulfonamide
CID 75310726
4-methoxy-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 7564467

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide (CID 110736987) is N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NC2CC(=O)N(C(C)(C)C)C2)cc1.
What is the InChIKey of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is YJPYVODDJJFPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-5-22-13-6-8-14(9-7-13)23(20,21)17-12-10-15(19)18(11-12)16(2,3)4/h6-9,12,17H,5,10-11H2,1-4H3.
What are the key properties of N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide?
N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-5-oxopyrrolidin-3-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 110736987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).