N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide

C20H18N2OS — CID 112820431

IUPACN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C20H18N2OS/c23-20(13-15-10-12-24-14-15)21-17-6-2-4-8-19(17)22-11-9-16-5-1-3-7-18(16)22/h1-8,10,12,14H,9,11,13H2,(H,21,23)
InChIKeyBZBYMTLKAMCSNV-UHFFFAOYSA-N
MW334.44 g/mol
LogP4.62
Rot. Bonds4

About N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide

N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide (PubChem CID 112820431) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide
PubChem CID112820431
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC NameN-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide
SMILESO=C(Cc1ccsc1)Nc1ccccc1N1CCc2ccccc21
InChIInChI=1S/C20H18N2OS/c23-20(13-15-10-12-24-14-15)21-17-6-2-4-8-19(17)22-11-9-16-5-1-3-7-18(16)22/h1-8,10,12,14H,9,11,13H2,(H,21,23)
InChIKeyBZBYMTLKAMCSNV-UHFFFAOYSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide?
The IUPAC name of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide (CID 112820431) is N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide.
What is the SMILES notation for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide?
The canonical SMILES for N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide is O=C(Cc1ccsc1)Nc1ccccc1N1CCc2ccccc21.
What is the InChIKey of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide?
The InChIKey is BZBYMTLKAMCSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2OS/c23-20(13-15-10-12-24-14-15)21-17-6-2-4-8-19(17)22-11-9-16-5-1-3-7-18(16)22/h1-8,10,12,14H,9,11,13H2,(H,21,23).
What are the key properties of N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide?
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-thiophen-3-ylacetamide has a molecular weight of 334.44 g/mol, XLogP of 4.62, 4 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)phenyl]-2-thiophen-3-ylacetamide is sourced from PubChem (CID 112820431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).