[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate

C20H30N2O5S — CID 7840791

IUPAC[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCC1CCCCC1
InChIInChI=1S/C20H30N2O5S/c1-15-9-11-17(28(25,26)22(2)3)13-18(15)21-19(23)14-27-20(24)12-10-16-7-5-4-6-8-16/h9,11,13,16H,4-8,10,12,14H2,1-3H3,(H,21,23)
InChIKeyIUZCULDMNFLLIX-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.09
Rot. Bonds8

About [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate

[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate (PubChem CID 7840791) has the molecular formula C20H30N2O5S and a molecular weight of 410.54 g/mol. Its IUPAC name is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate.

Molecular Properties

Compound Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate
PubChem CID7840791
Molecular FormulaC20H30N2O5S
Molecular Weight410.54 g/mol
Exact Mass410.19
IUPAC Name[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate
SMILESCc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCC1CCCCC1
InChIInChI=1S/C20H30N2O5S/c1-15-9-11-17(28(25,26)22(2)3)13-18(15)21-19(23)14-27-20(24)12-10-16-7-5-4-6-8-16/h9,11,13,16H,4-8,10,12,14H2,1-3H3,(H,21,23)
InChIKeyIUZCULDMNFLLIX-UHFFFAOYSA-N
XLogP3.09
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate?
The IUPAC name of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate (CID 7840791) is [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate.
What is the SMILES notation for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate?
The canonical SMILES for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate is Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)COC(=O)CCC1CCCCC1.
What is the InChIKey of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate?
The InChIKey is IUZCULDMNFLLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5S/c1-15-9-11-17(28(25,26)22(2)3)13-18(15)21-19(23)14-27-20(24)12-10-16-7-5-4-6-8-16/h9,11,13,16H,4-8,10,12,14H2,1-3H3,(H,21,23).
What are the key properties of [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate?
[2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate has a molecular weight of 410.54 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(dimethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 3-cyclohexylpropanoate is sourced from PubChem (CID 7840791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).