5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide

C18H22N2O2S — CID 20940575

IUPAC5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(N2CCc3ccccc32)s1
InChIInChI=1S/C18H22N2O2S/c1-2-22-13-5-11-19-18(21)16-8-9-17(23-16)20-12-10-14-6-3-4-7-15(14)20/h3-4,6-9H,2,5,10-13H2,1H3,(H,19,21)
InChIKeyGQMJTIADRVAIBO-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.60
Rot. Bonds7

About 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide

5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide (PubChem CID 20940575) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide
PubChem CID20940575
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide
SMILESCCOCCCNC(=O)c1ccc(N2CCc3ccccc32)s1
InChIInChI=1S/C18H22N2O2S/c1-2-22-13-5-11-19-18(21)16-8-9-17(23-16)20-12-10-14-6-3-4-7-15(14)20/h3-4,6-9H,2,5,10-13H2,1H3,(H,19,21)
InChIKeyGQMJTIADRVAIBO-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.60
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

5-(2,3-dihydroindol-1-yl)-N-propylthiophene-2-carboxamide
CID 20940563
5-(2,3-dihydroindol-1-yl)-N-[2-(4-ethylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 20940588
5-(2,3-dihydroindol-1-yl)-N-[2-(dimethylamino)ethyl]thiophene-2-carboxamide
CID 20940558
5-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-ethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 20940539
5-(2,3-dihydroindol-1-yl)-N-(4-methylcyclohexyl)thiophene-2-carboxamide
CID 20940573
5-(2,3-dihydro-1,4-benzoxazin-4-yl)-N-(3-methoxypropyl)thiophene-2-carboxamide
CID 20947629
2-(2,3-dihydroindol-1-yl)-N-(3-methoxypropyl)pyrimidine-5-carboxamide
CID 109251749
N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-(3,4-dihydro-2H-quinolin-1-yl)thiophene-2-carboxamide
CID 20940525
N-butyl-5-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)thiophene-2-carboxamide
CID 20951584
N-[2-(2,3-dihydroindol-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 62573733
(2R)-N-(3-ethoxypropyl)-2-(2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl)butanamide
CID 92886750
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-(4-ethoxybutyl)-3-ethylguanidine
CID 111945787

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The IUPAC name of 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide (CID 20940575) is 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide is CCOCCCNC(=O)c1ccc(N2CCc3ccccc32)s1.
What is the InChIKey of 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide?
The InChIKey is GQMJTIADRVAIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-22-13-5-11-19-18(21)16-8-9-17(23-16)20-12-10-14-6-3-4-7-15(14)20/h3-4,6-9H,2,5,10-13H2,1H3,(H,19,21).
What are the key properties of 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide?
5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide has a molecular weight of 330.45 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydroindol-1-yl)-N-(3-ethoxypropyl)thiophene-2-carboxamide is sourced from PubChem (CID 20940575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).