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

C26H30N2O5S — CID 11190867

IUPAC6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESCOc1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N2O5S/c1-32-19-9-7-18(8-10-19)24-23(17-5-3-2-4-6-17)25-20(15-21(34-25)26(30)31)28(24)16-22(29)27-11-13-33-14-12-27/h7-10,15,17H,2-6,11-14,16H2,1H3,(H,30,31)
InChIKeyUBYRXPDIILUWAZ-UHFFFAOYSA-N
MW482.60 g/mol
LogP4.98
Rot. Bonds6

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

6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid (PubChem CID 11190867) has the molecular formula C26H30N2O5S and a molecular weight of 482.60 g/mol. Its IUPAC name is 6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid
PubChem CID11190867
Molecular FormulaC26H30N2O5S
Molecular Weight482.60 g/mol
Exact Mass482.19
IUPAC Name6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESCOc1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1
InChIInChI=1S/C26H30N2O5S/c1-32-19-9-7-18(8-10-19)24-23(17-5-3-2-4-6-17)25-20(15-21(34-25)26(30)31)28(24)16-22(29)27-11-13-33-14-12-27/h7-10,15,17H,2-6,11-14,16H2,1H3,(H,30,31)
InChIKeyUBYRXPDIILUWAZ-UHFFFAOYSA-N
XLogP4.98
TPSA81.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[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-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid?
The IUPAC name of 6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid (CID 11190867) is 6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid is COc1ccc(-c2c(C3CCCCC3)c3sc(C(=O)O)cc3n2CC(=O)N2CCOCC2)cc1.
What is the InChIKey of 6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid?
The InChIKey is UBYRXPDIILUWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5S/c1-32-19-9-7-18(8-10-19)24-23(17-5-3-2-4-6-17)25-20(15-21(34-25)26(30)31)28(24)16-22(29)27-11-13-33-14-12-27/h7-10,15,17H,2-6,11-14,16H2,1H3,(H,30,31).
What are the key properties of 6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid?
6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid has a molecular weight of 482.60 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-(4-methoxyphenyl)-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 11190867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).