4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide

C16H24N2O4S — CID 110737152

IUPAC4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCC2CC(=O)N(C)C2)cc1C
InChIInChI=1S/C16H24N2O4S/c1-5-22-14-6-12(3)15(7-11(14)2)23(20,21)17-9-13-8-16(19)18(4)10-13/h6-7,13,17H,5,8-10H2,1-4H3
InChIKeyUACROBSSFAIYTK-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.46
Rot. Bonds6

About 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide

4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide (PubChem CID 110737152) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
PubChem CID110737152
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
SMILESCCOc1cc(C)c(S(=O)(=O)NCC2CC(=O)N(C)C2)cc1C
InChIInChI=1S/C16H24N2O4S/c1-5-22-14-6-12(3)15(7-11(14)2)23(20,21)17-9-13-8-16(19)18(4)10-13/h6-7,13,17H,5,8-10H2,1-4H3
InChIKeyUACROBSSFAIYTK-UHFFFAOYSA-N
XLogP1.46
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide 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

5-fluoro-2-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide
CID 131952010
4-ethoxy-N,2,5-trimethylbenzenesulfonamide
CID 66485781
N-[[1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-2-methyl-5-nitrobenzenesulfonamide
CID 16919659
4-ethoxy-2,5-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 110712524
5-methoxy-2,4-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 56756292
4-ethoxy-2,5-dimethyl-N-[2-(1,2,5-trimethylpyrrol-3-yl)ethyl]benzenesulfonamide
CID 110415643
N-[[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]methyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40912055
N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 110737130
2-methoxy-4,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]benzenesulfonamide
CID 16887463
2-ethoxy-5-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]benzenesulfonamide
CID 95187888
3,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 110737156
N-[[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2,4-dimethylbenzenesulfonamide
CID 40912201

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide (CID 110737152) is 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide is CCOc1cc(C)c(S(=O)(=O)NCC2CC(=O)N(C)C2)cc1C.
What is the InChIKey of 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
The InChIKey is UACROBSSFAIYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-5-22-14-6-12(3)15(7-11(14)2)23(20,21)17-9-13-8-16(19)18(4)10-13/h6-7,13,17H,5,8-10H2,1-4H3.
What are the key properties of 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide?
4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide has a molecular weight of 340.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2,5-dimethyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 110737152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).