[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone

C21H17NO3S — CID 17493587

IUPAC[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCc2ccccc21
InChIInChI=1S/C21H17NO3S/c23-21(22-10-9-14-3-1-2-4-16(14)22)20-8-7-19(26-20)15-5-6-17-18(13-15)25-12-11-24-17/h1-8,13H,9-12H2
InChIKeyBPRPVFMLQXVOGH-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.39
Rot. Bonds2

About [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone

[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone (PubChem CID 17493587) has the molecular formula C21H17NO3S and a molecular weight of 363.44 g/mol. Its IUPAC name is [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone
PubChem CID17493587
Molecular FormulaC21H17NO3S
Molecular Weight363.44 g/mol
Exact Mass363.09
IUPAC Name[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCc2ccccc21
InChIInChI=1S/C21H17NO3S/c23-21(22-10-9-14-3-1-2-4-16(14)22)20-8-7-19(26-20)15-5-6-17-18(13-15)25-12-11-24-17/h1-8,13H,9-12H2
InChIKeyBPRPVFMLQXVOGH-UHFFFAOYSA-N
XLogP4.39
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone (CID 17493587) is [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone is O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCc2ccccc21.
What is the InChIKey of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone?
The InChIKey is BPRPVFMLQXVOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3S/c23-21(22-10-9-14-3-1-2-4-16(14)22)20-8-7-19(26-20)15-5-6-17-18(13-15)25-12-11-24-17/h1-8,13H,9-12H2.
What are the key properties of [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone?
[5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone has a molecular weight of 363.44 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophen-2-yl]-(2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 17493587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).