ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate

C25H25NO3S2 — CID 68909299

IUPACethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(-c3ccc(C)s3)cc2n1-c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C25H25NO3S2/c1-3-28-25(27)21-15-23-20(14-24(31-23)22-13-8-16(2)30-22)26(21)17-9-11-19(12-10-17)29-18-6-4-5-7-18/h8-15,18H,3-7H2,1-2H3
InChIKeyCGSPUIZXGRPSKY-UHFFFAOYSA-N
MW451.61 g/mol
LogP7.23
Rot. Bonds6

About ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate

ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate (PubChem CID 68909299) has the molecular formula C25H25NO3S2 and a molecular weight of 451.61 g/mol. Its IUPAC name is ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate
PubChem CID68909299
Molecular FormulaC25H25NO3S2
Molecular Weight451.61 g/mol
Exact Mass451.13
IUPAC Nameethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2sc(-c3ccc(C)s3)cc2n1-c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C25H25NO3S2/c1-3-28-25(27)21-15-23-20(14-24(31-23)22-13-8-16(2)30-22)26(21)17-9-11-19(12-10-17)29-18-6-4-5-7-18/h8-15,18H,3-7H2,1-2H3
InChIKeyCGSPUIZXGRPSKY-UHFFFAOYSA-N
XLogP7.23
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-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 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate (CID 68909299) is ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2sc(-c3ccc(C)s3)cc2n1-c1ccc(OC2CCCC2)cc1.
What is the InChIKey of ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate?
The InChIKey is CGSPUIZXGRPSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO3S2/c1-3-28-25(27)21-15-23-20(14-24(31-23)22-13-8-16(2)30-22)26(21)17-9-11-19(12-10-17)29-18-6-4-5-7-18/h8-15,18H,3-7H2,1-2H3.
What are the key properties of ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate?
ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate has a molecular weight of 451.61 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-cyclopentyloxyphenyl)-2-(5-methylthiophen-2-yl)thieno[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 68909299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).