N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate

C17H24N3O4S- — CID 100950927

IUPACN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
SMILESC/C([O-])=N\CCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(21)18-12-11-14-7-9-16(10-8-14)25(23,24)20-17(22)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,21)(H2,19,20,22)/p-1
InChIKeyIMMFXSGHFKGGMO-UHFFFAOYSA-M
MW366.46 g/mol
LogP1.33
Rot. Bonds6

About N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate

N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate (PubChem CID 100950927) has the molecular formula C17H24N3O4S- and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate.

Molecular Properties

Compound NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
PubChem CID100950927
Molecular FormulaC17H24N3O4S-
Molecular Weight366.46 g/mol
Exact Mass366.15
IUPAC NameN-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate
SMILESC/C([O-])=N\CCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C17H25N3O4S/c1-13(21)18-12-11-14-7-9-16(10-8-14)25(23,24)20-17(22)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,21)(H2,19,20,22)/p-1
InChIKeyIMMFXSGHFKGGMO-UHFFFAOYSA-M
XLogP1.33
TPSA110.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]acetamide
CID 10666666
1-cyclohexyl-3-(4-ethylphenyl)sulfonylurea
CID 10495173
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2,3,4,5,6-pentafluorobenzamide
CID 10346554
1-cyclohexyl-3-[4-[[4-(diethylamino)phenyl]diazenyl]phenyl]sulfonylurea
CID 78060683
1-[4-(2-aminoethyl)phenyl]sulfonyl-3-[(1S,3R)-3-hydroxycyclohexyl]urea
CID 71313250
1-cycloheptyl-3-(3,4-dimethylphenyl)sulfonylurea
CID 154210091
1-cyclohexyl-3-[(4-methylphenyl)sulfonylcarbamoylamino]urea
CID 2370277
methyl 5-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethylcarbamoyl]pyrazine-2-carboxylate
CID 59767886
2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl-(6-methylpyrazin-2-yl)carbamic acid
CID 18782168
3-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-1-methyl-1-pyridin-2-ylurea
CID 21433328
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440
3-[4-(cyclohexylsulfamoyl)phenyl]propanoate
CID 7330268

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate?
The IUPAC name of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate (CID 100950927) is N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate.
What is the SMILES notation for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate?
The canonical SMILES for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate is C/C([O-])=N\CCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate?
The InChIKey is IMMFXSGHFKGGMO-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H25N3O4S/c1-13(21)18-12-11-14-7-9-16(10-8-14)25(23,24)20-17(22)19-15-5-3-2-4-6-15/h7-10,15H,2-6,11-12H2,1H3,(H,18,21)(H2,19,20,22)/p-1.
What are the key properties of N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate?
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate has a molecular weight of 366.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]ethanimidate is sourced from PubChem (CID 100950927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).