ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate

C13H16N2O4S2 — CID 22515786

IUPACethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2cccs2)cn1C
InChIInChI=1S/C13H16N2O4S2/c1-3-19-13(16)12-7-11(9-15(12)2)21(17,18)14-8-10-5-4-6-20-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyARVZVCCLDSBSSP-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.74
Rot. Bonds6

About ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate

ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate (PubChem CID 22515786) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
PubChem CID22515786
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Nameethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc(S(=O)(=O)NCc2cccs2)cn1C
InChIInChI=1S/C13H16N2O4S2/c1-3-19-13(16)12-7-11(9-15(12)2)21(17,18)14-8-10-5-4-6-20-10/h4-7,9,14H,3,8H2,1-2H3
InChIKeyARVZVCCLDSBSSP-UHFFFAOYSA-N
XLogP1.74
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[(3-ethoxycarbonylphenyl)sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 6623746
ethyl 5-[5-(thiophen-2-ylmethylsulfamoyl)thiophen-2-yl]-1,2-oxazole-3-carboxylate
CID 20950077
N-ethoxy-4-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60597755
ethyl 1-methyl-4-[[4-(trifluoromethoxy)phenyl]sulfamoyl]pyrrole-2-carboxylate
CID 46271592
ethyl 1-methyl-4-(oxolan-2-ylmethylsulfamoyl)pyrrole-2-carboxylate
CID 6623831
ethyl 4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 97306609
2-methyl-5-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 2447471
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 27621480
3-amino-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 4713669
3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47154675
3-hydroxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 81258558

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate (CID 22515786) is ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate is CCOC(=O)c1cc(S(=O)(=O)NCc2cccs2)cn1C.
What is the InChIKey of ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
The InChIKey is ARVZVCCLDSBSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-3-19-13(16)12-7-11(9-15(12)2)21(17,18)14-8-10-5-4-6-20-10/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate?
ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate has a molecular weight of 328.42 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-(thiophen-2-ylmethylsulfamoyl)pyrrole-2-carboxylate is sourced from PubChem (CID 22515786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).