5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

C20H23N3O2S — CID 20940665

IUPAC5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-n2ccc3ccccc32)s1
InChIInChI=1S/C20H23N3O2S/c24-20(21-9-3-10-22-12-14-25-15-13-22)18-6-7-19(26-18)23-11-8-16-4-1-2-5-17(16)23/h1-2,4-8,11H,3,9-10,12-15H2,(H,21,24)
InChIKeyBZPQZNZYYJDZQX-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.14
Rot. Bonds6

About 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide

5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (PubChem CID 20940665) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
PubChem CID20940665
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc(-n2ccc3ccccc32)s1
InChIInChI=1S/C20H23N3O2S/c24-20(21-9-3-10-22-12-14-25-15-13-22)18-6-7-19(26-18)23-11-8-16-4-1-2-5-17(16)23/h1-2,4-8,11H,3,9-10,12-15H2,(H,21,24)
InChIKeyBZPQZNZYYJDZQX-UHFFFAOYSA-N
XLogP3.14
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The IUPAC name of 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide (CID 20940665) is 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is O=C(NCCCN1CCOCC1)c1ccc(-n2ccc3ccccc32)s1.
What is the InChIKey of 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
The InChIKey is BZPQZNZYYJDZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c24-20(21-9-3-10-22-12-14-25-15-13-22)18-6-7-19(26-18)23-11-8-16-4-1-2-5-17(16)23/h1-2,4-8,11H,3,9-10,12-15H2,(H,21,24).
What are the key properties of 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide?
5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-indol-1-yl-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 20940665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).