3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid

C18H21NO5S2 — CID 164708196

IUPAC3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1C1CN(S(=O)(=O)C2CCCC2)CCO1
InChIInChI=1S/C18H21NO5S2/c20-18(21)17-16(13-7-3-4-8-15(13)25-17)14-11-19(9-10-24-14)26(22,23)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-11H2,(H,20,21)
InChIKeyXRIUWNCZVUPKAZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.25
Rot. Bonds4

About 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid

3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid (PubChem CID 164708196) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid
PubChem CID164708196
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC Name3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2ccccc2c1C1CN(S(=O)(=O)C2CCCC2)CCO1
InChIInChI=1S/C18H21NO5S2/c20-18(21)17-16(13-7-3-4-8-15(13)25-17)14-11-19(9-10-24-14)26(22,23)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-11H2,(H,20,21)
InChIKeyXRIUWNCZVUPKAZ-UHFFFAOYSA-N
XLogP3.25
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-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

Related Compounds

3-[(2R)-4-cyclopentylsulfonylmorpholin-2-yl]-N-propan-2-yl-1-benzothiophene-2-carboxamide
CID 92619349
3-[4-(oxan-4-ylsulfonyl)morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 154997106
3-(4-pyrrolidin-1-ylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxamide
CID 110089169
3-[(2S)-4-acetylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 125023417
3-[(2R)-4-(4-fluoro-3-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxylic acid
CID 164708175
3-[(2R)-4-(2,4,6-trimethylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 164708227
3-[(2R)-4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 164708198
methyl 4-[(2R)-2-(2-carbamoyl-1-benzothiophen-3-yl)morpholin-4-yl]sulfonylbenzoate
CID 164708224
3-[(2R)-4-(5-fluoro-2-methylphenyl)sulfonylmorpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 164708202
3-[(2S)-4-(cyclopentanecarbonyl)morpholin-2-yl]-N-(2-hydroxyethyl)-1-benzothiophene-2-carboxamide
CID 92619483
[3-[(2S)-4-(cyclohexylmethyl)morpholin-2-yl]-1-benzothiophen-2-yl]-morpholin-4-ylmethanone
CID 92619571
3-[(2S)-4-[(1-cyclohexylpyrazol-4-yl)methyl]morpholin-2-yl]-N-methyl-1-benzothiophene-2-carboxamide
CID 92619405

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid (CID 164708196) is 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid is O=C(O)c1sc2ccccc2c1C1CN(S(=O)(=O)C2CCCC2)CCO1.
What is the InChIKey of 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid?
The InChIKey is XRIUWNCZVUPKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c20-18(21)17-16(13-7-3-4-8-15(13)25-17)14-11-19(9-10-24-14)26(22,23)12-5-1-2-6-12/h3-4,7-8,12,14H,1-2,5-6,9-11H2,(H,20,21).
What are the key properties of 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid?
3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid has a molecular weight of 395.50 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopentylsulfonylmorpholin-2-yl)-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 164708196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).