6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid

C25H28N2O4S — CID 11775339

IUPAC6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccccc1)n2CC(=O)N1CCOCC1
InChIInChI=1S/C25H28N2O4S/c28-21(26-11-13-31-14-12-26)16-27-19-15-20(25(29)30)32-24(19)22(17-7-3-1-4-8-17)23(27)18-9-5-2-6-10-18/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14,16H2,(H,29,30)
InChIKeyYIJDUUFLVVHVJH-UHFFFAOYSA-N
MW452.58 g/mol
LogP4.97
Rot. Bonds5

About 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid

6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid (PubChem CID 11775339) has the molecular formula C25H28N2O4S and a molecular weight of 452.58 g/mol. Its IUPAC name is 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid
PubChem CID11775339
Molecular FormulaC25H28N2O4S
Molecular Weight452.58 g/mol
Exact Mass452.18
IUPAC Name6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccccc1)n2CC(=O)N1CCOCC1
InChIInChI=1S/C25H28N2O4S/c28-21(26-11-13-31-14-12-26)16-27-19-15-20(25(29)30)32-24(19)22(17-7-3-1-4-8-17)23(27)18-9-5-2-6-10-18/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14,16H2,(H,29,30)
InChIKeyYIJDUUFLVVHVJH-UHFFFAOYSA-N
XLogP4.97
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid 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 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid?
The IUPAC name of 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid (CID 11775339) is 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid is O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccccc1)n2CC(=O)N1CCOCC1.
What is the InChIKey of 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid?
The InChIKey is YIJDUUFLVVHVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O4S/c28-21(26-11-13-31-14-12-26)16-27-19-15-20(25(29)30)32-24(19)22(17-7-3-1-4-8-17)23(27)18-9-5-2-6-10-18/h2,5-6,9-10,15,17H,1,3-4,7-8,11-14,16H2,(H,29,30).
What are the key properties of 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid?
6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid has a molecular weight of 452.58 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)-5-phenylthieno[3,2-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 11775339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).