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

C16H22N2O4S2 — CID 20927359

IUPACethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCCc2cccs2)c(C)n(C)c1C
InChIInChI=1S/C16H22N2O4S2/c1-5-22-16(19)14-11(2)18(4)12(3)15(14)24(20,21)17-9-8-13-7-6-10-23-13/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyHTSSFJPVBKCZIQ-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.40
Rot. Bonds7

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

ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate (PubChem CID 20927359) has the molecular formula C16H22N2O4S2 and a molecular weight of 370.50 g/mol. Its IUPAC name is ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate
PubChem CID20927359
Molecular FormulaC16H22N2O4S2
Molecular Weight370.50 g/mol
Exact Mass370.10
IUPAC Nameethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)NCCc2cccs2)c(C)n(C)c1C
InChIInChI=1S/C16H22N2O4S2/c1-5-22-16(19)14-11(2)18(4)12(3)15(14)24(20,21)17-9-8-13-7-6-10-23-13/h6-7,10,17H,5,8-9H2,1-4H3
InChIKeyHTSSFJPVBKCZIQ-UHFFFAOYSA-N
XLogP2.40
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1,2,5-trimethyl-4-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfamoyl]pyrrole-3-carboxylate
CID 46365429
ethyl 1,2,5-trimethyl-4-[2-(4-methylsulfanylphenyl)ethylsulfamoyl]pyrrole-3-carboxylate
CID 20938550
ethyl 1,2,5-trimethyl-4-(3-morpholin-4-ylbutylsulfamoyl)pyrrole-3-carboxylate
CID 20938556
4-amino-2,6-dimethyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 79588588
ethyl 2,5-dimethyl-4-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methylsulfamoyl]-1H-pyrrole-3-carboxylate
CID 20938516
diethyl 2,5-dimethyl-1-(thiophen-2-ylmethyl)pyrrole-3,4-dicarboxylate
CID 170871938
ethyl 4-[(2,5-dimethoxyphenyl)methylsulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
CID 20927356
ethyl 2,5-dimethyl-4-[4-(2-thiophen-2-ylethylcarbamoyl)piperidin-1-yl]sulfonyl-1H-pyrrole-3-carboxylate
CID 20938294
ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
CID 22515786
2-thiophen-2-ylethylsulfamoyl carbamate
CID 87697749
ethyl 1,2,5-trimethyl-4-[[4-(1,2-oxazol-5-yl)phenyl]sulfamoyl]pyrrole-3-carboxylate
CID 20927351
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate?
The IUPAC name of ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate (CID 20927359) is ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate?
The canonical SMILES for ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)NCCc2cccs2)c(C)n(C)c1C.
What is the InChIKey of ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate?
The InChIKey is HTSSFJPVBKCZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S2/c1-5-22-16(19)14-11(2)18(4)12(3)15(14)24(20,21)17-9-8-13-7-6-10-23-13/h6-7,10,17H,5,8-9H2,1-4H3.
What are the key properties of ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate?
ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate has a molecular weight of 370.50 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,5-trimethyl-4-(2-thiophen-2-ylethylsulfamoyl)pyrrole-3-carboxylate is sourced from PubChem (CID 20927359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).