ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate

C19H26N2O4S — CID 20927322

IUPACethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCC(C)c2ccccc2)c(C)n(C)c1C
InChIInChI=1S/C19H26N2O4S/c1-6-25-19(22)17-14(3)21(5)15(4)18(17)26(23,24)20-12-13(2)16-10-8-7-9-11-16/h7-11,13,20H,6,12H2,1-5H3
InChIKeyWWQIGBPOJIBKTM-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.90
Rot. Bonds7

About ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate

ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate (PubChem CID 20927322) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate
PubChem CID20927322
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC Nameethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCC(C)c2ccccc2)c(C)n(C)c1C
InChIInChI=1S/C19H26N2O4S/c1-6-25-19(22)17-14(3)21(5)15(4)18(17)26(23,24)20-12-13(2)16-10-8-7-9-11-16/h7-11,13,20H,6,12H2,1-5H3
InChIKeyWWQIGBPOJIBKTM-UHFFFAOYSA-N
XLogP2.90
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate (CID 20927322) is ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCC(C)c2ccccc2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate?
The InChIKey is WWQIGBPOJIBKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-6-25-19(22)17-14(3)21(5)15(4)18(17)26(23,24)20-12-13(2)16-10-8-7-9-11-16/h7-11,13,20H,6,12H2,1-5H3.
What are the key properties of ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate has a molecular weight of 378.49 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethyl-4-(2-phenylpropylsulfamoyl)pyrrole-3-carboxylate is sourced from PubChem (CID 20927322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).