ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate

C19H19N3O5S — CID 11475100

IUPACethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2c1CC/C2=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C19H19N3O5S/c1-3-27-19(24)15-9(2)21-17-11(15)5-6-12(17)16-13-8-10(28(20,25)26)4-7-14(13)22-18(16)23/h4,7-8,21H,3,5-6H2,1-2H3,(H,22,23)(H2,20,25,26)/b16-12-
InChIKeyOJPLYRNEXSSOKR-VBKFSLOCSA-N
MW401.44 g/mol
LogP1.96
Rot. Bonds3

About ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate

ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate (PubChem CID 11475100) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate
PubChem CID11475100
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Nameethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c2c1CC/C2=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C19H19N3O5S/c1-3-27-19(24)15-9(2)21-17-11(15)5-6-12(17)16-13-8-10(28(20,25)26)4-7-14(13)22-18(16)23/h4,7-8,21H,3,5-6H2,1-2H3,(H,22,23)(H2,20,25,26)/b16-12-
InChIKeyOJPLYRNEXSSOKR-VBKFSLOCSA-N
XLogP1.96
TPSA131.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]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 (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate?
The IUPAC name of ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate (CID 11475100) is ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate.
What is the SMILES notation for ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate?
The canonical SMILES for ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c2c1CC/C2=C1/C(=O)Nc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate?
The InChIKey is OJPLYRNEXSSOKR-VBKFSLOCSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-3-27-19(24)15-9(2)21-17-11(15)5-6-12(17)16-13-8-10(28(20,25)26)4-7-14(13)22-18(16)23/h4,7-8,21H,3,5-6H2,1-2H3,(H,22,23)(H2,20,25,26)/b16-12-.
What are the key properties of ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate?
ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate has a molecular weight of 401.44 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6Z)-2-methyl-6-(2-oxo-5-sulfamoyl-1H-indol-3-ylidene)-4,5-dihydro-1H-cyclopenta[b]pyrrole-3-carboxylate is sourced from PubChem (CID 11475100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).