ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate

C14H24N2O4S — CID 53005275

IUPACethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC(C)(C)CC)c1C
InChIInChI=1S/C14H24N2O4S/c1-7-14(5,6)16-21(18,19)12-9(3)11(15-10(12)4)13(17)20-8-2/h15-16H,7-8H2,1-6H3
InChIKeyKONZVLPTTKYPMN-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.28
Rot. Bonds6

About ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate

ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate (PubChem CID 53005275) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate
PubChem CID53005275
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Nameethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC(C)(C)CC)c1C
InChIInChI=1S/C14H24N2O4S/c1-7-14(5,6)16-21(18,19)12-9(3)11(15-10(12)4)13(17)20-8-2/h15-16H,7-8H2,1-6H3
InChIKeyKONZVLPTTKYPMN-UHFFFAOYSA-N
XLogP2.28
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate (CID 53005275) is ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(C)c(S(=O)(=O)NC(C)(C)CC)c1C.
What is the InChIKey of ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate?
The InChIKey is KONZVLPTTKYPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-7-14(5,6)16-21(18,19)12-9(3)11(15-10(12)4)13(17)20-8-2/h15-16H,7-8H2,1-6H3.
What are the key properties of ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate?
ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate has a molecular weight of 316.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-dimethyl-4-(2-methylbutan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 53005275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).