N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C16H24N2O2S — CID 3243403

IUPACN-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1csc2c1CCCC2
InChIInChI=1S/C16H24N2O2S/c19-16(14-12-21-15-5-2-1-4-13(14)15)17-6-3-7-18-8-10-20-11-9-18/h12H,1-11H2,(H,17,19)
InChIKeyBECKIYVNPDBIIZ-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.08
Rot. Bonds5

About N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3243403) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3243403
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC NameN-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1csc2c1CCCC2
InChIInChI=1S/C16H24N2O2S/c19-16(14-12-21-15-5-2-1-4-13(14)15)17-6-3-7-18-8-10-20-11-9-18/h12H,1-11H2,(H,17,19)
InChIKeyBECKIYVNPDBIIZ-UHFFFAOYSA-N
XLogP2.08
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-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

Piperidin-1-yl(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)methanone
CID 2072949
4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10091931
4-(4-Cyclohexyl-phenyl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 10408590
6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3237196
N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3240379
N-(2-morpholin-4-ylethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3241233
N-[(1-ethylpyrrolidin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3241911
6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3243959
N-[3-(4-ethylpiperazin-1-yl)propyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3244633
6-methyl-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3245882
N-(1-ethylpiperidin-3-yl)-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 3525907
Ethyl 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-amido)piperidine-1-carboxylate
CID 5308557

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3243403) is N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is O=C(NCCCN1CCOCC1)c1csc2c1CCCC2.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is BECKIYVNPDBIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(14-12-21-15-5-2-1-4-13(14)15)17-6-3-7-18-8-10-20-11-9-18/h12H,1-11H2,(H,17,19).
What are the key properties of N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3243403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).