6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid

C19H19NO2S — CID 11370785

IUPAC6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(-c3ccccc3)c(C3CCCCC3)c2s1
InChIInChI=1S/C19H19NO2S/c21-19(22)15-11-14-18(23-15)16(12-7-3-1-4-8-12)17(20-14)13-9-5-2-6-10-13/h2,5-6,9-12,20H,1,3-4,7-8H2,(H,21,22)
InChIKeyKWJJDJJGUBFGKF-UHFFFAOYSA-N
MW325.43 g/mol
LogP5.64
Rot. Bonds3

About 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid

6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid (PubChem CID 11370785) has the molecular formula C19H19NO2S and a molecular weight of 325.43 g/mol. Its IUPAC name is 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
PubChem CID11370785
Molecular FormulaC19H19NO2S
Molecular Weight325.43 g/mol
Exact Mass325.11
IUPAC Name6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(-c3ccccc3)c(C3CCCCC3)c2s1
InChIInChI=1S/C19H19NO2S/c21-19(22)15-11-14-18(23-15)16(12-7-3-1-4-8-12)17(20-14)13-9-5-2-6-10-13/h2,5-6,9-12,20H,1,3-4,7-8H2,(H,21,22)
InChIKeyKWJJDJJGUBFGKF-UHFFFAOYSA-N
XLogP5.64
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.43
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
The IUPAC name of 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid (CID 11370785) is 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid is O=C(O)c1cc2[nH]c(-c3ccccc3)c(C3CCCCC3)c2s1.
What is the InChIKey of 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
The InChIKey is KWJJDJJGUBFGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO2S/c21-19(22)15-11-14-18(23-15)16(12-7-3-1-4-8-12)17(20-14)13-9-5-2-6-10-13/h2,5-6,9-12,20H,1,3-4,7-8H2,(H,21,22).
What are the key properties of 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid?
6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid has a molecular weight of 325.43 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 11370785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).