N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C19H22N2O2S — CID 2521230

IUPACN-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H22N2O2S/c22-19(18-13-14-3-1-2-4-17(14)24-18)20-15-5-7-16(8-6-15)21-9-11-23-12-10-21/h5-8,13H,1-4,9-12H2,(H,20,22)
InChIKeyIHTVPAIEKWWVQS-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.72
Rot. Bonds3

About N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 2521230) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
PubChem CID2521230
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC NameN-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCCC2
InChIInChI=1S/C19H22N2O2S/c22-19(18-13-14-3-1-2-4-17(14)24-18)20-15-5-7-16(8-6-15)21-9-11-23-12-10-21/h5-8,13H,1-4,9-12H2,(H,20,22)
InChIKeyIHTVPAIEKWWVQS-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide 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 N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 2521230) is N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(N2CCOCC2)cc1)c1cc2c(s1)CCCC2.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
The InChIKey is IHTVPAIEKWWVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c22-19(18-13-14-3-1-2-4-17(14)24-18)20-15-5-7-16(8-6-15)21-9-11-23-12-10-21/h5-8,13H,1-4,9-12H2,(H,20,22).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?
N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 342.46 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 2521230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).