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

C17H22N2O4S — CID 20923350

IUPACethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C17H22N2O4S/c1-4-23-17(20)15-12(2)19-13(3)16(15)24(21,22)18-11-10-14-8-6-5-7-9-14/h5-9,18-19H,4,10-11H2,1-3H3
InChIKeyRCRMVLUTDNAJHV-UHFFFAOYSA-N
MW350.44 g/mol
LogP2.33
Rot. Bonds7

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

ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate (PubChem CID 20923350) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate
PubChem CID20923350
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Nameethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCc1ccccc1
InChIInChI=1S/C17H22N2O4S/c1-4-23-17(20)15-12(2)19-13(3)16(15)24(21,22)18-11-10-14-8-6-5-7-9-14/h5-9,18-19H,4,10-11H2,1-3H3
InChIKeyRCRMVLUTDNAJHV-UHFFFAOYSA-N
XLogP2.33
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate (CID 20923350) is ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCCc1ccccc1.
What is the InChIKey of ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate?
The InChIKey is RCRMVLUTDNAJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-4-23-17(20)15-12(2)19-13(3)16(15)24(21,22)18-11-10-14-8-6-5-7-9-14/h5-9,18-19H,4,10-11H2,1-3H3.
What are the key properties of ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate?
ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate has a molecular weight of 350.44 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dimethyl-4-(2-phenylethylsulfamoyl)-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 20923350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).