N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide

C22H29N3O3S — CID 109480604

IUPACN'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CCS(=O)(=O)c1ccccc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H29N3O3S/c1-3-23-22(24-13-16-29(26,27)19-10-5-4-6-11-19)25-14-15-28-21(17-25)20-12-8-7-9-18(20)2/h4-12,21H,3,13-17H2,1-2H3,(H,23,24)
InChIKeyFAAGMYVZFDNYTH-UHFFFAOYSA-N
MW415.56 g/mol
LogP2.81
Rot. Bonds6

About N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide

N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109480604) has the molecular formula C22H29N3O3S and a molecular weight of 415.56 g/mol. Its IUPAC name is N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109480604
Molecular FormulaC22H29N3O3S
Molecular Weight415.56 g/mol
Exact Mass415.19
IUPAC NameN'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\CCS(=O)(=O)c1ccccc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C22H29N3O3S/c1-3-23-22(24-13-16-29(26,27)19-10-5-4-6-11-19)25-14-15-28-21(17-25)20-12-8-7-9-18(20)2/h4-12,21H,3,13-17H2,1-2H3,(H,23,24)
InChIKeyFAAGMYVZFDNYTH-UHFFFAOYSA-N
XLogP2.81
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide 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

N-ethyl-N'-[3-(ethylsulfonylamino)propyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481495
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479699
N'-[2-(benzenesulfinyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479698
N'-(2-ethoxyethyl)-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479664
N-benzyl-3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]propanamide
CID 109479523
N-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 109480489
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481449
3-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N-propan-2-ylpropanamide
CID 109481577
N-[4-[2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]ethyl]phenyl]acetamide;hydroiodide
CID 109481476
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479443
N-ethyl-N'-(5-methoxypentyl)-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479835
2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109480637

Frequently Asked Questions

What is the IUPAC name of N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109480604) is N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide is CCN/C(=N\CCS(=O)(=O)c1ccccc1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is FAAGMYVZFDNYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3S/c1-3-23-22(24-13-16-29(26,27)19-10-5-4-6-11-19)25-14-15-28-21(17-25)20-12-8-7-9-18(20)2/h4-12,21H,3,13-17H2,1-2H3,(H,23,24).
What are the key properties of N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 415.56 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109480604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).