N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide

C19H24N2OS — CID 110301315

IUPACN-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)NCCN1CCc2ccccc21
InChIInChI=1S/C19H24N2OS/c22-19(10-4-2-7-17-8-5-15-23-17)20-12-14-21-13-11-16-6-1-3-9-18(16)21/h1,3,5-6,8-9,15H,2,4,7,10-14H2,(H,20,22)
InChIKeyUNMVSRSSIJPDAH-UHFFFAOYSA-N
MW328.48 g/mol
LogP3.64
Rot. Bonds8

About N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide

N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide (PubChem CID 110301315) has the molecular formula C19H24N2OS and a molecular weight of 328.48 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide
PubChem CID110301315
Molecular FormulaC19H24N2OS
Molecular Weight328.48 g/mol
Exact Mass328.16
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide
SMILESO=C(CCCCc1cccs1)NCCN1CCc2ccccc21
InChIInChI=1S/C19H24N2OS/c22-19(10-4-2-7-17-8-5-15-23-17)20-12-14-21-13-11-16-6-1-3-9-18(16)21/h1,3,5-6,8-9,15H,2,4,7,10-14H2,(H,20,22)
InChIKeyUNMVSRSSIJPDAH-UHFFFAOYSA-N
XLogP3.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.48
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-phenylpentanamide
CID 110301318
N-[2-(2,3-dihydroindol-1-yl)ethyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 112502054
3-amino-N-[3-(2,3-dihydroindol-1-yl)propyl]propanamide;dihydrochloride
CID 119851222
N-[2-(methylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119500853
3-(3,4-dichlorophenyl)-N-[2-(2,3-dihydroindol-1-yl)ethyl]propanamide
CID 110301281
N-[2-(ethylamino)ethyl]-6-thiophen-2-ylhexanamide
CID 119505635
3-[3-(2,3-dihydroindol-1-yl)propylamino]-3-oxopropanoic acid
CID 62230278
N-(3-piperazin-1-ylpropyl)-4-thiophen-2-ylbutanamide
CID 43443283
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-thiophen-2-ylpentanamide
CID 110615618
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 39045691
4-hydroxy-N-(2-thiophen-2-ylethyl)butanamide
CID 13185709
N-tert-butyl-2-[3-(2,3-dihydroindol-1-yl)propanoyl-(thiophen-2-ylmethyl)amino]propanamide
CID 3190320

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide (CID 110301315) is N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide is O=C(CCCCc1cccs1)NCCN1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide?
The InChIKey is UNMVSRSSIJPDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS/c22-19(10-4-2-7-17-8-5-15-23-17)20-12-14-21-13-11-16-6-1-3-9-18(16)21/h1,3,5-6,8-9,15H,2,4,7,10-14H2,(H,20,22).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide?
N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide has a molecular weight of 328.48 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroindol-1-yl)ethyl]-5-thiophen-2-ylpentanamide is sourced from PubChem (CID 110301315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).