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

C17H26N2O2S — CID 3237196

IUPAC6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NCCCN3CCOCC3)csc2C1
InChIInChI=1S/C17H26N2O2S/c1-13-3-4-14-15(12-22-16(14)11-13)17(20)18-5-2-6-19-7-9-21-10-8-19/h12-13H,2-11H2,1H3,(H,18,20)
InChIKeyRTHYNDONZYERRJ-UHFFFAOYSA-N
MW322.47 g/mol
LogP2.33
Rot. Bonds5

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

6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 3237196) has the molecular formula C17H26N2O2S and a molecular weight of 322.47 g/mol. Its IUPAC name is 6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID3237196
Molecular FormulaC17H26N2O2S
Molecular Weight322.47 g/mol
Exact Mass322.17
IUPAC Name6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCC1CCc2c(C(=O)NCCCN3CCOCC3)csc2C1
InChIInChI=1S/C17H26N2O2S/c1-13-3-4-14-15(12-22-16(14)11-13)17(20)18-5-2-6-19-7-9-21-10-8-19/h12-13H,2-11H2,1H3,(H,18,20)
InChIKeyRTHYNDONZYERRJ-UHFFFAOYSA-N
XLogP2.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
4-(4''-Acetyl-biphenyl-4-yl)-thiophene-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide
CID 44389246
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-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3243403
6-methyl-N-(2-morpholin-4-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3243959
6-methyl-N-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3245882
Ethyl 4-(4,5,6,7-tetrahydro-1-benzothiophene-3-amido)piperidine-1-carboxylate
CID 5308557
N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 9550700
N-Isopropyl-1'-(4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonyl)-[1,4'-bipiperidine]-4-carboxamide
CID 16187585
1-Morpholin-4-yl-2-phenyl-3-(thiophen-3-ylmethylamino)propan-1-one
CID 72022523

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of 6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 3237196) is 6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for 6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is CC1CCc2c(C(=O)NCCCN3CCOCC3)csc2C1.
What is the InChIKey of 6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is RTHYNDONZYERRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2S/c1-13-3-4-14-15(12-22-16(14)11-13)17(20)18-5-2-6-19-7-9-21-10-8-19/h12-13H,2-11H2,1H3,(H,18,20).
What are the key properties of 6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 322.47 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 3237196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).