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

C19H24N2O4S — CID 141109632

IUPAC3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1sc2ccn(CC(=O)N3CCOCC3)c2c1C1CCCCC1
InChIInChI=1S/C19H24N2O4S/c22-15(20-8-10-25-11-9-20)12-21-7-6-14-17(21)16(18(26-14)19(23)24)13-4-2-1-3-5-13/h6-7,13H,1-5,8-12H2,(H,23,24)
InChIKeyRYUMAOKSOGXFME-UHFFFAOYSA-N
MW376.48 g/mol
LogP3.31
Rot. Bonds4

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

3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid (PubChem CID 141109632) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid
PubChem CID141109632
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1sc2ccn(CC(=O)N3CCOCC3)c2c1C1CCCCC1
InChIInChI=1S/C19H24N2O4S/c22-15(20-8-10-25-11-9-20)12-21-7-6-14-17(21)16(18(26-14)19(23)24)13-4-2-1-3-5-13/h6-7,13H,1-5,8-12H2,(H,23,24)
InChIKeyRYUMAOKSOGXFME-UHFFFAOYSA-N
XLogP3.31
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid?
The IUPAC name of 3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid (CID 141109632) is 3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid is O=C(O)c1sc2ccn(CC(=O)N3CCOCC3)c2c1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid?
The InChIKey is RYUMAOKSOGXFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4S/c22-15(20-8-10-25-11-9-20)12-21-7-6-14-17(21)16(18(26-14)19(23)24)13-4-2-1-3-5-13/h6-7,13H,1-5,8-12H2,(H,23,24).
What are the key properties of 3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid?
3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid has a molecular weight of 376.48 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 141109632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).