N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

C22H28N4O2S — CID 111263359

IUPACN-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(S(=O)(=O)NC)cc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2S/c1-3-24-22(25-17-18-9-11-21(12-10-18)29(27,28)23-2)26-15-13-20(14-16-26)19-7-5-4-6-8-19/h4-13,23H,3,14-17H2,1-2H3,(H,24,25)
InChIKeyYYWVSQJMBRFNGP-UHFFFAOYSA-N
MW412.56 g/mol
LogP2.85
Rot. Bonds6

About N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide

N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (PubChem CID 111263359) has the molecular formula C22H28N4O2S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
PubChem CID111263359
Molecular FormulaC22H28N4O2S
Molecular Weight412.56 g/mol
Exact Mass412.19
IUPAC NameN-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
SMILESCCN/C(=N\Cc1ccc(S(=O)(=O)NC)cc1)N1CC=C(c2ccccc2)CC1
InChIInChI=1S/C22H28N4O2S/c1-3-24-22(25-17-18-9-11-21(12-10-18)29(27,28)23-2)26-15-13-20(14-16-26)19-7-5-4-6-8-19/h4-13,23H,3,14-17H2,1-2H3,(H,24,25)
InChIKeyYYWVSQJMBRFNGP-UHFFFAOYSA-N
XLogP2.85
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-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'-[(1-methylpyrazol-4-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263895
N-ethyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263362
3-benzyl-N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111724522
N'-[2-(4-acetylpiperazin-1-yl)ethyl]-N-ethyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263793
N'-methyl-N-[(4-methylsulfonylphenyl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263541
N-ethyl-N'-(2-morpholin-4-ylsulfonylethyl)-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263835
N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-3-(phenylmethoxymethyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111527054
N-ethyl-N'-[[6-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263987
N-tert-butyl-2-[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]acetamide;hydroiodide
CID 111263370
2-(dimethylamino)-N-[3-[[[ethylamino-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 111263426
N-[2-(benzenesulfonamido)ethyl]-N'-methyl-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263909
N-ethyl-N'-[4-(4-ethylpiperazin-1-yl)butyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 111263811

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The IUPAC name of N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide (CID 111263359) is N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is CCN/C(=N\Cc1ccc(S(=O)(=O)NC)cc1)N1CC=C(c2ccccc2)CC1.
What is the InChIKey of N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
The InChIKey is YYWVSQJMBRFNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2S/c1-3-24-22(25-17-18-9-11-21(12-10-18)29(27,28)23-2)26-15-13-20(14-16-26)19-7-5-4-6-8-19/h4-13,23H,3,14-17H2,1-2H3,(H,24,25).
What are the key properties of N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide?
N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide has a molecular weight of 412.56 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[4-(methylsulfamoyl)phenyl]methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide is sourced from PubChem (CID 111263359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).