[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate

C18H26N2O5S — CID 5183111

IUPAC[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N2O5S/c1-13-9-10-15(11-16(13)26(23,24)20(2)3)19-17(21)12-25-18(22)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,19,21)
InChIKeyMESQZSRUHRMNLY-UHFFFAOYSA-N
MW382.48 g/mol
LogP2.31
Rot. Bonds6

About [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate

[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate (PubChem CID 5183111) has the molecular formula C18H26N2O5S and a molecular weight of 382.48 g/mol. Its IUPAC name is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate.

Molecular Properties

Compound Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate
PubChem CID5183111
Molecular FormulaC18H26N2O5S
Molecular Weight382.48 g/mol
Exact Mass382.16
IUPAC Name[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate
SMILESCc1ccc(NC(=O)COC(=O)C2CCCCC2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C18H26N2O5S/c1-13-9-10-15(11-16(13)26(23,24)20(2)3)19-17(21)12-25-18(22)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,19,21)
InChIKeyMESQZSRUHRMNLY-UHFFFAOYSA-N
XLogP2.31
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.48
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate?
The IUPAC name of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate (CID 5183111) is [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate.
What is the SMILES notation for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate?
The canonical SMILES for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate is Cc1ccc(NC(=O)COC(=O)C2CCCCC2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate?
The InChIKey is MESQZSRUHRMNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S/c1-13-9-10-15(11-16(13)26(23,24)20(2)3)19-17(21)12-25-18(22)14-7-5-4-6-8-14/h9-11,14H,4-8,12H2,1-3H3,(H,19,21).
What are the key properties of [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate?
[2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate has a molecular weight of 382.48 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] cyclohexanecarboxylate is sourced from PubChem (CID 5183111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).