ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate

C18H22N2O3S — CID 138975302

IUPACethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate
SMILESCCO/C(=N/S(=O)(=O)c1ccc(C)cc1)Nc1c(C)cccc1C
InChIInChI=1S/C18H22N2O3S/c1-5-23-18(19-17-14(3)7-6-8-15(17)4)20-24(21,22)16-11-9-13(2)10-12-16/h6-12H,5H2,1-4H3,(H,19,20)
InChIKeyWAWOXCHARBNPKT-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.81
Rot. Bonds4

About ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate

ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate (PubChem CID 138975302) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate.

Molecular Properties

Compound Nameethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate
PubChem CID138975302
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Nameethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate
SMILESCCO/C(=N/S(=O)(=O)c1ccc(C)cc1)Nc1c(C)cccc1C
InChIInChI=1S/C18H22N2O3S/c1-5-23-18(19-17-14(3)7-6-8-15(17)4)20-24(21,22)16-11-9-13(2)10-12-16/h6-12H,5H2,1-4H3,(H,19,20)
InChIKeyWAWOXCHARBNPKT-UHFFFAOYSA-N
XLogP3.81
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(3Z)-3-amino-N-(2-methylphenyl)-3-(4-methylphenyl)sulfonyliminopropanamide
CID 177455956
methyl N-(4-methylphenyl)sulfonylpentanimidate
CID 74988744
(NE)-4-methyl-N-[1-(2-methylphenyl)ethylidene]benzenesulfonamide
CID 155906264
N-(2-chloro-1-phenylethylidene)-4-methylbenzenesulfonamide
CID 178184329
ethyl (E,2Z)-4-(4-methylphenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate
CID 139201593
2-methyl-N'-(4-methylphenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 4030330
N-(2,6-dimethylphenyl)-2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1095191
ethyl (2E)-2-(4-methylphenyl)sulfonyliminoacetate
CID 10923109
N-(2,6-dimethylphenyl)-2-[4-ethoxy-2-(4-methylphenyl)sulfonylanilino]acetamide
CID 22304114
methyl N'-(4-methylphenyl)sulfonylcarbamimidothioate
CID 5368528
ethyl (E,2Z)-4-(2-chlorophenyl)-2-(4-methylphenyl)sulfonyliminobut-3-enoate
CID 154711272
ethyl 4-[4-[(2,6-dimethylphenyl)sulfamoyl]anilino]-4-oxobut-2-enoate
CID 4933964

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate?
The IUPAC name of ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate (CID 138975302) is ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate.
What is the SMILES notation for ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate?
The canonical SMILES for ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate is CCO/C(=N/S(=O)(=O)c1ccc(C)cc1)Nc1c(C)cccc1C.
What is the InChIKey of ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate?
The InChIKey is WAWOXCHARBNPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-5-23-18(19-17-14(3)7-6-8-15(17)4)20-24(21,22)16-11-9-13(2)10-12-16/h6-12H,5H2,1-4H3,(H,19,20).
What are the key properties of ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate?
ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate has a molecular weight of 346.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2,6-dimethylphenyl)-N'-(4-methylphenyl)sulfonylcarbamimidate is sourced from PubChem (CID 138975302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).