N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide

C23H32N4O3S — CID 109479443

IUPACN'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1ccc(S(=O)(=O)N(C)C)cc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C23H32N4O3S/c1-5-24-23(25-16-19-10-12-20(13-11-19)31(28,29)26(3)4)27-14-15-30-22(17-27)21-9-7-6-8-18(21)2/h6-13,22H,5,14-17H2,1-4H3,(H,24,25)
InChIKeyIOEKXGINMKAFFZ-UHFFFAOYSA-N
MW444.60 g/mol
LogP2.78
Rot. Bonds6

About N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide

N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109479443) has the molecular formula C23H32N4O3S and a molecular weight of 444.60 g/mol. Its IUPAC name is N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109479443
Molecular FormulaC23H32N4O3S
Molecular Weight444.60 g/mol
Exact Mass444.22
IUPAC NameN'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1ccc(S(=O)(=O)N(C)C)cc1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C23H32N4O3S/c1-5-24-23(25-16-19-10-12-20(13-11-19)31(28,29)26(3)4)27-14-15-30-22(17-27)21-9-7-6-8-18(21)2/h6-13,22H,5,14-17H2,1-4H3,(H,24,25)
InChIKeyIOEKXGINMKAFFZ-UHFFFAOYSA-N
XLogP2.78
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.60
LogP ≤ 52.78
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'}

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Related Compounds

N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479442
4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109480328
4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]-N-methylbenzamide
CID 109480196
2-[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]-N,N-dimethylacetamide
CID 109480637
N'-[2-(benzenesulfonyl)ethyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480604
N-ethyl-N'-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481185
3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109481109
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479444
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111723614
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N-[3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 109481556
N-ethyl-2-(2-methylphenyl)-N'-[(5-sulfamoylthiophen-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481186

Frequently Asked Questions

What is the IUPAC name of N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109479443) is N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide is CCN/C(=N\Cc1ccc(S(=O)(=O)N(C)C)cc1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is IOEKXGINMKAFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3S/c1-5-24-23(25-16-19-10-12-20(13-11-19)31(28,29)26(3)4)27-14-15-30-22(17-27)21-9-7-6-8-18(21)2/h6-13,22H,5,14-17H2,1-4H3,(H,24,25).
What are the key properties of N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide?
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 444.60 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109479443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).