2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

C21H25N3O3S — CID 53187877

IUPAC2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
SMILESO=C(NCCc1ccccn1)C1CCc2sc(C(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C21H25N3O3S/c25-20(23-8-6-17-3-1-2-7-22-17)15-4-5-18-16(13-15)14-19(28-18)21(26)24-9-11-27-12-10-24/h1-3,7,14-15H,4-6,8-13H2,(H,23,25)
InChIKeyJIPHZFUKVWEUFT-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.08
Rot. Bonds5

About 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide

2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide (PubChem CID 53187877) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide.

Molecular Properties

Compound Name2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
PubChem CID53187877
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC Name2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
SMILESO=C(NCCc1ccccn1)C1CCc2sc(C(=O)N3CCOCC3)cc2C1
InChIInChI=1S/C21H25N3O3S/c25-20(23-8-6-17-3-1-2-7-22-17)15-4-5-18-16(13-15)14-19(28-18)21(26)24-9-11-27-12-10-24/h1-3,7,14-15H,4-6,8-13H2,(H,23,25)
InChIKeyJIPHZFUKVWEUFT-UHFFFAOYSA-N
XLogP2.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide 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

Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
N-[(3R)-1-azabicyclo[2.2.2]oct-3-yl]-5-(pyridin-2-yl)thiophene-2-carboxamide
CID 11983345
2-Pyridin-4-ylspiro[5,6-dihydrothieno[3,2-c]pyridine-7,1'-cyclohexane]-4-one
CID 54764920
5-phenyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 71459157
N-[2-(morpholin-4-yl)-2-(thiophen-2-yl)ethyl]pyridine-3-carboxamide
CID 24818196
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
[5-Morpholino-4-(2-pyridinyl)-2-thienyl](phenyl)methanone
CID 1485941
5-Pyridin-2-yl-thiophene-2-carboxylic acid (1-aza-bicyclo[2.2.2]oct-3-yl)-amide
CID 10267729
4-(4-Pyridin-4-yl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10318433
5-(5-((benzylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 11617038
5-methyl-N-[(2S,3R)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]thiophene-2-carboxamide
CID 25182692
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(5-methylthiophen-2-yl)methanone
CID 42606105

Frequently Asked Questions

What is the IUPAC name of 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide?
The IUPAC name of 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide (CID 53187877) is 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide.
What is the SMILES notation for 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide?
The canonical SMILES for 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide is O=C(NCCc1ccccn1)C1CCc2sc(C(=O)N3CCOCC3)cc2C1.
What is the InChIKey of 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide?
The InChIKey is JIPHZFUKVWEUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c25-20(23-8-6-17-3-1-2-7-22-17)15-4-5-18-16(13-15)14-19(28-18)21(26)24-9-11-27-12-10-24/h1-3,7,14-15H,4-6,8-13H2,(H,23,25).
What are the key properties of 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide?
2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholine-4-carbonyl)-N-(2-pyridin-2-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide is sourced from PubChem (CID 53187877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).